5-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide

C17H19N3O3 — CID 24667486

IUPAC5-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2cc(C3CC3)on2)cc1
InChIInChI=1S/C17H19N3O3/c1-18-16(21)13-5-3-11(4-6-13)10-20(2)17(22)14-9-15(23-19-14)12-7-8-12/h3-6,9,12H,7-8,10H2,1-2H3,(H,18,21)
InChIKeyAEFMXBPDJLZOIA-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.18
Rot. Bonds5

About 5-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24667486) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID24667486
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name5-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2cc(C3CC3)on2)cc1
InChIInChI=1S/C17H19N3O3/c1-18-16(21)13-5-3-11(4-6-13)10-20(2)17(22)14-9-15(23-19-14)12-7-8-12/h3-6,9,12H,7-8,10H2,1-2H3,(H,18,21)
InChIKeyAEFMXBPDJLZOIA-UHFFFAOYSA-N
XLogP2.18
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 71900193
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 38744450
N-[(2-bromophenyl)methyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide
CID 32812219
5-(2,5-dimethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 48987740
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide
CID 8964487
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide
CID 26722336
N-methyl-4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]benzamide
CID 37213866
7-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 8967170
5-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8967446
N-methyl-4-[[methyl-[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide
CID 8964688
6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 41433756
2-(4-ethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 38741594

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide (CID 24667486) is 5-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide is CNC(=O)c1ccc(CN(C)C(=O)c2cc(C3CC3)on2)cc1.
What is the InChIKey of 5-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is AEFMXBPDJLZOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-18-16(21)13-5-3-11(4-6-13)10-20(2)17(22)14-9-15(23-19-14)12-7-8-12/h3-6,9,12H,7-8,10H2,1-2H3,(H,18,21).
What are the key properties of 5-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24667486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).