5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide

C14H16N2O2 — CID 176958817

IUPAC5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)Cc2ccccc2)no1
InChIInChI=1S/C14H16N2O2/c1-10(8-12-6-4-3-5-7-12)15-14(17)13-9-11(2)18-16-13/h3-7,9-10H,8H2,1-2H3,(H,15,17)
InChIKeyFESCAFQSASQCRG-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.34
Rot. Bonds4

About 5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide

5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 176958817) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID176958817
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)Cc2ccccc2)no1
InChIInChI=1S/C14H16N2O2/c1-10(8-12-6-4-3-5-7-12)15-14(17)13-9-11(2)18-16-13/h3-7,9-10H,8H2,1-2H3,(H,15,17)
InChIKeyFESCAFQSASQCRG-UHFFFAOYSA-N
XLogP2.34
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1,2-diphenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 31348831
N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104872804
N-[1-(cyclopropylmethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42821216
5-methyl-N-(6-methylheptan-2-yl)-1,2-oxazole-3-carboxamide
CID 78790456
N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 96559454
3-(4-hydroxyphenyl)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 43209778
3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369608
N-(2-bromo-1-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 114311175
5-methyl-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-1,2-oxazole-3-carboxamide
CID 97478219
6-amino-N-(1-phenylpropan-2-yl)pyridine-2-carboxamide
CID 63010622
N-[(2S)-1-phenylpropan-2-yl]furan-2-carboxamide
CID 768448
5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157356

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide (CID 176958817) is 5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC(C)Cc2ccccc2)no1.
What is the InChIKey of 5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is FESCAFQSASQCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(8-12-6-4-3-5-7-12)15-14(17)13-9-11(2)18-16-13/h3-7,9-10H,8H2,1-2H3,(H,15,17).
What are the key properties of 5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 176958817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).