N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

C18H15N3O3S — CID 90503347

IUPACN-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1onc2c1CSC2)C1(c2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C18H15N3O3S/c22-17(19-16-12-9-25-10-13(12)20-24-16)18(6-7-18)15-8-14(23-21-15)11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,19,22)
InChIKeyINONHINECQTYKX-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.75
Rot. Bonds4

About N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 90503347) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
PubChem CID90503347
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC NameN-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1onc2c1CSC2)C1(c2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C18H15N3O3S/c22-17(19-16-12-9-25-10-13(12)20-24-16)18(6-7-18)15-8-14(23-21-15)11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,19,22)
InChIKeyINONHINECQTYKX-UHFFFAOYSA-N
XLogP3.75
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyanophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90503198
N-(2-methylsulfanylphenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90503194
N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502473
N-(2-ethoxyphenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90503191
1-(5-phenyl-1,2-oxazol-3-yl)-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
CID 90503329
N-[2-(dimethylamino)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90503128
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90503346
N-(4-fluoro-3-nitrophenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90503238
1-(5-phenyl-1,2-oxazol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 90503338
N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90503059
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 90504452
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide
CID 90504424

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (CID 90503347) is N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is O=C(Nc1onc2c1CSC2)C1(c2cc(-c3ccccc3)on2)CC1.
What is the InChIKey of N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is INONHINECQTYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c22-17(19-16-12-9-25-10-13(12)20-24-16)18(6-7-18)15-8-14(23-21-15)11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,19,22).
What are the key properties of N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90503347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).