5-(2-bromo-4-fluorophenyl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-bromothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-chlorothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxy-4-methylphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-methyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(3-phenylthiophen-2-yl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

C111H100Br2ClFN20O20S3 — CID 161420765

IUPAC5-(2-bromo-4-fluorophenyl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-bromothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-chlorothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxy-4-methylphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-methyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(3-phenylthiophen-2-yl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CC2)no1.Cc1ccc(-c2cc(C(=O)NC3CC3)no2)c(O)c1.O=C(NC1CC1)c1cc(-c2ccc(Br)s2)on1.O=C(NC1CC1)c1cc(-c2ccc(Cl)s2)on1.O=C(NC1CC1)c1cc(-c2ccc(F)cc2Br)on1.O=C(NC1CC1)c1cc(-c2ccccc2O)on1.O=C(NC1CC1)c1cc(-c2ccccn2)on1.O=C(NC1CC1)c1cc(-c2cccnc2)on1.O=C(NC1CC1)c1cc(-c2sccc2-c2ccccc2)on1
InChIInChI=1S/C17H14N2O2S.C14H14N2O3.C13H10BrFN2O2.C13H12N2O3.2C12H11N3O2.C11H9BrN2O2S.C11H9ClN2O2S.C8H10N2O2/c20-17(18-12-6-7-12)14-10-15(21-19-14)16-13(8-9-22-16)11-4-2-1-3-5-11;1-8-2-5-10(12(17)6-8)13-7-11(16-19-13)14(18)15-9-3-4-9;14-10-5-7(15)1-4-9(10)12-6-11(17-19-12)13(18)16-8-2-3-8;16-11-4-2-1-3-9(11)12-7-10(15-18-12)13(17)14-8-5-6-8;16-12(14-9-3-4-9)10-6-11(17-15-10)8-2-1-5-13-7-8;16-12(14-8-4-5-8)10-7-11(17-15-10)9-3-1-2-6-13-9;2*12-10-4-3-9(17-10)8-5-7(14-16-8)11(15)13-6-1-2-6;1-5-4-7(10-12-5)8(11)9-6-2-3-6/h1-5,8-10,12H,6-7H2,(H,18,20);2,5-7,9,17H,3-4H2,1H3,(H,15,18);1,4-6,8H,2-3H2,(H,16,18);1-4,7-8,16H,5-6H2,(H,14,17);1-2,5-7,9H,3-4H2,(H,14,16);1-3,6-8H,4-5H2,(H,14,16);2*3-6H,1-2H2,(H,13,15);4,6H,2-3H2,1H3,(H,9,11)
InChIKeyVWRXWJZSMAFAJT-UHFFFAOYSA-N
MW2344.60 g/mol
LogP21.42
Rot. Bonds27

About 5-(2-bromo-4-fluorophenyl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-bromothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-chlorothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxy-4-methylphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-methyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(3-phenylthiophen-2-yl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

5-(2-bromo-4-fluorophenyl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-bromothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-chlorothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxy-4-methylphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-methyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(3-phenylthiophen-2-yl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 161420765) has the molecular formula C111H100Br2ClFN20O20S3 and a molecular weight of 2344.60 g/mol. Its IUPAC name is 5-(2-bromo-4-fluorophenyl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-bromothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-chlorothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxy-4-methylphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-methyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(3-phenylthiophen-2-yl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-bromo-4-fluorophenyl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-bromothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-chlorothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxy-4-methylphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-methyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(3-phenylthiophen-2-yl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID161420765
Molecular FormulaC111H100Br2ClFN20O20S3
Molecular Weight2344.60 g/mol
Exact Mass2340.46
IUPAC Name5-(2-bromo-4-fluorophenyl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-bromothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-chlorothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxy-4-methylphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-methyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(3-phenylthiophen-2-yl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CC2)no1.Cc1ccc(-c2cc(C(=O)NC3CC3)no2)c(O)c1.O=C(NC1CC1)c1cc(-c2ccc(Br)s2)on1.O=C(NC1CC1)c1cc(-c2ccc(Cl)s2)on1.O=C(NC1CC1)c1cc(-c2ccc(F)cc2Br)on1.O=C(NC1CC1)c1cc(-c2ccccc2O)on1.O=C(NC1CC1)c1cc(-c2ccccn2)on1.O=C(NC1CC1)c1cc(-c2cccnc2)on1.O=C(NC1CC1)c1cc(-c2sccc2-c2ccccc2)on1
InChIInChI=1S/C17H14N2O2S.C14H14N2O3.C13H10BrFN2O2.C13H12N2O3.2C12H11N3O2.C11H9BrN2O2S.C11H9ClN2O2S.C8H10N2O2/c20-17(18-12-6-7-12)14-10-15(21-19-14)16-13(8-9-22-16)11-4-2-1-3-5-11;1-8-2-5-10(12(17)6-8)13-7-11(16-19-13)14(18)15-9-3-4-9;14-10-5-7(15)1-4-9(10)12-6-11(17-19-12)13(18)16-8-2-3-8;16-11-4-2-1-3-9(11)12-7-10(15-18-12)13(17)14-8-5-6-8;16-12(14-9-3-4-9)10-6-11(17-15-10)8-2-1-5-13-7-8;16-12(14-8-4-5-8)10-7-11(17-15-10)9-3-1-2-6-13-9;2*12-10-4-3-9(17-10)8-5-7(14-16-8)11(15)13-6-1-2-6;1-5-4-7(10-12-5)8(11)9-6-2-3-6/h1-5,8-10,12H,6-7H2,(H,18,20);2,5-7,9,17H,3-4H2,1H3,(H,15,18);1,4-6,8H,2-3H2,(H,16,18);1-4,7-8,16H,5-6H2,(H,14,17);1-2,5-7,9H,3-4H2,(H,14,16);1-3,6-8H,4-5H2,(H,14,16);2*3-6H,1-2H2,(H,13,15);4,6H,2-3H2,1H3,(H,9,11)
InChIKeyVWRXWJZSMAFAJT-UHFFFAOYSA-N
XLogP21.42
TPSA562.41 Ų
H-Bond Donors11
H-Bond Acceptors34
Rotatable Bonds27
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002344.60
LogP ≤ 521.42
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1034

Analyze 5-(2-bromo-4-fluorophenyl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-bromothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-chlorothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxy-4-methylphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-methyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(3-phenylthiophen-2-yl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-fluorophenyl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-bromothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-chlorothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxy-4-methylphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-methyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(3-phenylthiophen-2-yl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2-bromo-4-fluorophenyl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-bromothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-chlorothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxy-4-methylphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-methyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(3-phenylthiophen-2-yl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 161420765) is 5-(2-bromo-4-fluorophenyl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-bromothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-chlorothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxy-4-methylphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-methyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(3-phenylthiophen-2-yl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2-bromo-4-fluorophenyl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-bromothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-chlorothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxy-4-methylphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-methyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(3-phenylthiophen-2-yl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2-bromo-4-fluorophenyl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-bromothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-chlorothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxy-4-methylphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-methyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(3-phenylthiophen-2-yl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC2CC2)no1.Cc1ccc(-c2cc(C(=O)NC3CC3)no2)c(O)c1.O=C(NC1CC1)c1cc(-c2ccc(Br)s2)on1.O=C(NC1CC1)c1cc(-c2ccc(Cl)s2)on1.O=C(NC1CC1)c1cc(-c2ccc(F)cc2Br)on1.O=C(NC1CC1)c1cc(-c2ccccc2O)on1.O=C(NC1CC1)c1cc(-c2ccccn2)on1.O=C(NC1CC1)c1cc(-c2cccnc2)on1.O=C(NC1CC1)c1cc(-c2sccc2-c2ccccc2)on1.
What is the InChIKey of 5-(2-bromo-4-fluorophenyl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-bromothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-chlorothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxy-4-methylphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-methyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(3-phenylthiophen-2-yl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is VWRXWJZSMAFAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S.C14H14N2O3.C13H10BrFN2O2.C13H12N2O3.2C12H11N3O2.C11H9BrN2O2S.C11H9ClN2O2S.C8H10N2O2/c20-17(18-12-6-7-12)14-10-15(21-19-14)16-13(8-9-22-16)11-4-2-1-3-5-11;1-8-2-5-10(12(17)6-8)13-7-11(16-19-13)14(18)15-9-3-4-9;14-10-5-7(15)1-4-9(10)12-6-11(17-19-12)13(18)16-8-2-3-8;16-11-4-2-1-3-9(11)12-7-10(15-18-12)13(17)14-8-5-6-8;16-12(14-9-3-4-9)10-6-11(17-15-10)8-2-1-5-13-7-8;16-12(14-8-4-5-8)10-7-11(17-15-10)9-3-1-2-6-13-9;2*12-10-4-3-9(17-10)8-5-7(14-16-8)11(15)13-6-1-2-6;1-5-4-7(10-12-5)8(11)9-6-2-3-6/h1-5,8-10,12H,6-7H2,(H,18,20);2,5-7,9,17H,3-4H2,1H3,(H,15,18);1,4-6,8H,2-3H2,(H,16,18);1-4,7-8,16H,5-6H2,(H,14,17);1-2,5-7,9H,3-4H2,(H,14,16);1-3,6-8H,4-5H2,(H,14,16);2*3-6H,1-2H2,(H,13,15);4,6H,2-3H2,1H3,(H,9,11).
What are the key properties of 5-(2-bromo-4-fluorophenyl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-bromothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-chlorothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxy-4-methylphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-methyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(3-phenylthiophen-2-yl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
5-(2-bromo-4-fluorophenyl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-bromothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-chlorothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxy-4-methylphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-methyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(3-phenylthiophen-2-yl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 2344.60 g/mol, XLogP of 21.42, 27 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-fluorophenyl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-bromothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;5-(5-chlorothiophen-2-yl)-N-cyclopropyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxy-4-methylphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-methyl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-(3-phenylthiophen-2-yl)-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-cyclopropyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 161420765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).