N-[(3-carbamoylphenyl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C15H15N3O3 — CID 33097528

IUPACN-[(3-carbamoylphenyl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2cc(C3CC3)on2)c1
InChIInChI=1S/C15H15N3O3/c16-14(19)11-3-1-2-9(6-11)8-17-15(20)12-7-13(21-18-12)10-4-5-10/h1-3,6-7,10H,4-5,8H2,(H2,16,19)(H,17,20)
InChIKeyMBKJDHLWUAXACA-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.58
Rot. Bonds5

About N-[(3-carbamoylphenyl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[(3-carbamoylphenyl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 33097528) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID33097528
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-[(3-carbamoylphenyl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2cc(C3CC3)on2)c1
InChIInChI=1S/C15H15N3O3/c16-14(19)11-3-1-2-9(6-11)8-17-15(20)12-7-13(21-18-12)10-4-5-10/h1-3,6-7,10H,4-5,8H2,(H2,16,19)(H,17,20)
InChIKeyMBKJDHLWUAXACA-UHFFFAOYSA-N
XLogP1.58
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 39516950
N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63049431
N-[(3-carbamothioylphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 66156353
3-[(carbamoylamino)methyl]benzamide
CID 166184789
N-[(3-carbamoylphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 32637038
N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 115636972
N-[(3-carbamoylphenyl)methyl]-4-cyclopentyl-1,3-thiazole-5-carboxamide
CID 75506058
N-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119529507
5-cyclopropyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71779472
5-[(3-carbamoylphenyl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102687923
5-cyclopropyl-N-[(4-hydroxypiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 130188168
2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245551

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 33097528) is N-[(3-carbamoylphenyl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is NC(=O)c1cccc(CNC(=O)c2cc(C3CC3)on2)c1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is MBKJDHLWUAXACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-14(19)11-3-1-2-9(6-11)8-17-15(20)12-7-13(21-18-12)10-4-5-10/h1-3,6-7,10H,4-5,8H2,(H2,16,19)(H,17,20).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[(3-carbamoylphenyl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 33097528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).