N-(4-acetylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide

C16H15N3O4 — CID 121110555

IUPACN-(4-acetylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2coc(NC(=O)C3CC3)n2)cc1
InChIInChI=1S/C16H15N3O4/c1-9(20)10-4-6-12(7-5-10)17-15(22)13-8-23-16(18-13)19-14(21)11-2-3-11/h4-8,11H,2-3H2,1H3,(H,17,22)(H,18,19,21)
InChIKeyQNTDAWCPDOAEON-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.48
Rot. Bonds5

About N-(4-acetylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide

N-(4-acetylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide (PubChem CID 121110555) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide
PubChem CID121110555
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN-(4-acetylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2coc(NC(=O)C3CC3)n2)cc1
InChIInChI=1S/C16H15N3O4/c1-9(20)10-4-6-12(7-5-10)17-15(22)13-8-23-16(18-13)19-14(21)11-2-3-11/h4-8,11H,2-3H2,1H3,(H,17,22)(H,18,19,21)
InChIKeyQNTDAWCPDOAEON-UHFFFAOYSA-N
XLogP2.48
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropanecarbonylamino)-N-methoxy-1,3-oxazole-4-carboxamide
CID 56765163
N-(2-carbamoylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide
CID 121110560
2-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 71788416
2-(cyclopropanecarbonylamino)-N-[3-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
CID 71788429
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150327
N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885
2-(cyclopropanecarbonylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 121110592
N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145710
N-(2-acetylphenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 112760957
N-(4-acetylphenyl)-1-methylpiperidine-4-carboxamide
CID 59145520
N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide
CID 112988197
N-[4-(4-hydroxypiperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide
CID 121110480

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide (CID 121110555) is N-(4-acetylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide is CC(=O)c1ccc(NC(=O)c2coc(NC(=O)C3CC3)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide?
The InChIKey is QNTDAWCPDOAEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-9(20)10-4-6-12(7-5-10)17-15(22)13-8-23-16(18-13)19-14(21)11-2-3-11/h4-8,11H,2-3H2,1H3,(H,17,22)(H,18,19,21).
What are the key properties of N-(4-acetylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide?
N-(4-acetylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 313.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 121110555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).