5-(3-bromothiophen-2-yl)-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-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

C95H85Br2ClN18O17S4 — CID 158707627

IUPAC5-(3-bromothiophen-2-yl)-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-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.O=C(NC1CC1)c1cc(-c2ccc(Br)s2)on1.O=C(NC1CC1)c1cc(-c2ccc(Cl)s2)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.O=C(NC1CC1)c1cc(-c2sccc2Br)on1
InChIInChI=1S/C17H14N2O2S.C13H12N2O3.2C12H11N3O2.2C11H9BrN2O2S.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;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;12-10-4-3-9(17-10)8-5-7(14-16-8)11(15)13-6-1-2-6;12-7-3-4-17-10(7)9-5-8(14-16-9)11(15)13-6-1-2-6;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);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);3*3-6H,1-2H2,(H,13,15);4,6H,2-3H2,1H3,(H,9,11)
InChIKeyIIHVRESJBKZBIA-UHFFFAOYSA-N
MW2074.36 g/mol
LogP19.10
Rot. Bonds24

About 5-(3-bromothiophen-2-yl)-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-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-(3-bromothiophen-2-yl)-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-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 158707627) has the molecular formula C95H85Br2ClN18O17S4 and a molecular weight of 2074.36 g/mol. Its IUPAC name is 5-(3-bromothiophen-2-yl)-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-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-(3-bromothiophen-2-yl)-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-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 CID158707627
Molecular FormulaC95H85Br2ClN18O17S4
Molecular Weight2074.36 g/mol
Exact Mass2070.33
IUPAC Name5-(3-bromothiophen-2-yl)-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-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.O=C(NC1CC1)c1cc(-c2ccc(Br)s2)on1.O=C(NC1CC1)c1cc(-c2ccc(Cl)s2)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.O=C(NC1CC1)c1cc(-c2sccc2Br)on1
InChIInChI=1S/C17H14N2O2S.C13H12N2O3.2C12H11N3O2.2C11H9BrN2O2S.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;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;12-10-4-3-9(17-10)8-5-7(14-16-8)11(15)13-6-1-2-6;12-7-3-4-17-10(7)9-5-8(14-16-9)11(15)13-6-1-2-6;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);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);3*3-6H,1-2H2,(H,13,15);4,6H,2-3H2,1H3,(H,9,11)
InChIKeyIIHVRESJBKZBIA-UHFFFAOYSA-N
XLogP19.10
TPSA487.05 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002074.36
LogP ≤ 519.10
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Analyze 5-(3-bromothiophen-2-yl)-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-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-(3-bromothiophen-2-yl)-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-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-(3-bromothiophen-2-yl)-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-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 158707627) is 5-(3-bromothiophen-2-yl)-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-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-(3-bromothiophen-2-yl)-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-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-(3-bromothiophen-2-yl)-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-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.O=C(NC1CC1)c1cc(-c2ccc(Br)s2)on1.O=C(NC1CC1)c1cc(-c2ccc(Cl)s2)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.O=C(NC1CC1)c1cc(-c2sccc2Br)on1.
What is the InChIKey of 5-(3-bromothiophen-2-yl)-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-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 IIHVRESJBKZBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S.C13H12N2O3.2C12H11N3O2.2C11H9BrN2O2S.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;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;12-10-4-3-9(17-10)8-5-7(14-16-8)11(15)13-6-1-2-6;12-7-3-4-17-10(7)9-5-8(14-16-9)11(15)13-6-1-2-6;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);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);3*3-6H,1-2H2,(H,13,15);4,6H,2-3H2,1H3,(H,9,11).
What are the key properties of 5-(3-bromothiophen-2-yl)-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-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-(3-bromothiophen-2-yl)-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-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 2074.36 g/mol, XLogP of 19.10, 24 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromothiophen-2-yl)-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-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 158707627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).