2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid

C18H22N2O3 — CID 24712388

IUPAC2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
SMILESCC(C)c1ccc(CN(Cc2nc(C(=O)O)co2)C2CC2)cc1
InChIInChI=1S/C18H22N2O3/c1-12(2)14-5-3-13(4-6-14)9-20(15-7-8-15)10-17-19-16(11-23-17)18(21)22/h3-6,11-12,15H,7-10H2,1-2H3,(H,21,22)
InChIKeyWZNSRHGQZVJIHO-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.66
Rot. Bonds7

About 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid

2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 24712388) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID24712388
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
SMILESCC(C)c1ccc(CN(Cc2nc(C(=O)O)co2)C2CC2)cc1
InChIInChI=1S/C18H22N2O3/c1-12(2)14-5-3-13(4-6-14)9-20(15-7-8-15)10-17-19-16(11-23-17)18(21)22/h3-6,11-12,15H,7-10H2,1-2H3,(H,21,22)
InChIKeyWZNSRHGQZVJIHO-UHFFFAOYSA-N
XLogP3.66
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid with MolForge

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Related Compounds

2-[[(4-chlorophenyl)methyl-cyclopropylamino]methyl]-1,3-oxazole-4-carboxylic acid
CID 42798819
2-[[cyclopropyl-[(4-ethoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 24712750
N-[(2S)-butan-2-yl]-2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93158009
N-benzyl-2-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 42834478
2-[[cyclopropyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 24712390
[2-[[(4-tert-butylphenyl)methyl-cyclopropylamino]methyl]-1,3-oxazol-4-yl]-piperidin-1-ylmethanone
CID 42834561
N-benzyl-2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 42834503
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 86923328
2-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
CID 42834643
1-[4-[2-[[cyclopropyl-[(4-ethoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42834539
2-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide
CID 46001283
2-[[(4-tert-butylphenyl)methyl-cyclopropylamino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 42834555

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid (CID 24712388) is 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid is CC(C)c1ccc(CN(Cc2nc(C(=O)O)co2)C2CC2)cc1.
What is the InChIKey of 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is WZNSRHGQZVJIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12(2)14-5-3-13(4-6-14)9-20(15-7-8-15)10-17-19-16(11-23-17)18(21)22/h3-6,11-12,15H,7-10H2,1-2H3,(H,21,22).
What are the key properties of 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid?
2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 314.39 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 24712388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).