N-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide

C14H16N2O3 — CID 111335083

IUPACN-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCC(C)(O)c2ccccc2)on1
InChIInChI=1S/C14H16N2O3/c1-10-8-12(19-16-10)13(17)15-9-14(2,18)11-6-4-3-5-7-11/h3-8,18H,9H2,1-2H3,(H,15,17)
InChIKeyNFKJAMYRDBBEQI-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.62
Rot. Bonds4

About N-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide

N-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 111335083) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID111335083
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCC(C)(O)c2ccccc2)on1
InChIInChI=1S/C14H16N2O3/c1-10-8-12(19-16-10)13(17)15-9-14(2,18)11-6-4-3-5-7-11/h3-8,18H,9H2,1-2H3,(H,15,17)
InChIKeyNFKJAMYRDBBEQI-UHFFFAOYSA-N
XLogP1.62
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 66168971
N-(1-chloro-2-phenylpropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 105059726
N-[(2-hydroxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 115598819
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71781801
N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide
CID 111334967
N-(4,4-dimethylpentyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 130266249
4-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]benzoic acid
CID 43665789
2-benzyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119233563
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,2-oxazole-5-carboxamide
CID 90497502
2-methyl-2-phenyl-3-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 120701444
3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701525
N-(2-hydroxy-2-phenylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 111335201

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 111335083) is N-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NCC(C)(O)c2ccccc2)on1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is NFKJAMYRDBBEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-8-12(19-16-10)13(17)15-9-14(2,18)11-6-4-3-5-7-11/h3-8,18H,9H2,1-2H3,(H,15,17).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 111335083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).