N-[4-(azepane-1-carbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C19H24N4O3 — CID 71881165

IUPACN-[4-(azepane-1-carbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1
InChIInChI=1S/C19H24N4O3/c1-13-17(14(2)26-22-13)18(24)20-15-7-9-16(10-8-15)21-19(25)23-11-5-3-4-6-12-23/h7-10H,3-6,11-12H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyVGKAQTFISWUGEW-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.95
Rot. Bonds3

About N-[4-(azepane-1-carbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[4-(azepane-1-carbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 71881165) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[4-(azepane-1-carbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(azepane-1-carbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID71881165
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[4-(azepane-1-carbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1
InChIInChI=1S/C19H24N4O3/c1-13-17(14(2)26-22-13)18(24)20-15-7-9-16(10-8-15)21-19(25)23-11-5-3-4-6-12-23/h7-10H,3-6,11-12H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyVGKAQTFISWUGEW-UHFFFAOYSA-N
XLogP3.95
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
CID 7999169
N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 28780641
3,5-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide
CID 37276422
N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 770330
N-[4-(2-hydroxyethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 61222499
N-(4-ethylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 42021822
3,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 7760096
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 51274962
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2225142
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245318
N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 38324737
N-(4-bromophenyl)azocane-1-carboxamide
CID 3245808

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepane-1-carbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(azepane-1-carbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 71881165) is N-[4-(azepane-1-carbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(azepane-1-carbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(azepane-1-carbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepane-1-carbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is VGKAQTFISWUGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-17(14(2)26-22-13)18(24)20-15-7-9-16(10-8-15)21-19(25)23-11-5-3-4-6-12-23/h7-10H,3-6,11-12H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N-[4-(azepane-1-carbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[4-(azepane-1-carbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepane-1-carbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 71881165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).