N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide

C14H16N2O3 — CID 65031495

IUPACN-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCC(CO)CNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C14H16N2O3/c1-10(9-17)8-15-14(18)12-7-13(19-16-12)11-5-3-2-4-6-11/h2-7,10,17H,8-9H2,1H3,(H,15,18)
InChIKeyIOXVUZBNUCJIOR-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.70
Rot. Bonds5

About N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide

N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 65031495) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID65031495
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCC(CO)CNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C14H16N2O3/c1-10(9-17)8-15-14(18)12-7-13(19-16-12)11-5-3-2-4-6-11/h2-7,10,17H,8-9H2,1H3,(H,15,18)
InChIKeyIOXVUZBNUCJIOR-UHFFFAOYSA-N
XLogP1.70
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 120827875
N-(2-cyclopropyl-2-hydroxyethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 63295331
N-[2-(4-chlorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 171470034
N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51103232
N-[2-[[(2S)-2-(dimethylamino)propyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95383413
N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 93486036
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 45132897
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 50754415
N-pentan-2-yl-5-phenyl-1,2-oxazole-3-carboxamide
CID 133149969
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
5-(4-methylphenyl)-N-[(2R)-2-phenylbutyl]-1,2-oxazole-3-carboxamide
CID 95738529

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 65031495) is N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide is CC(CO)CNC(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is IOXVUZBNUCJIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10(9-17)8-15-14(18)12-7-13(19-16-12)11-5-3-2-4-6-11/h2-7,10,17H,8-9H2,1H3,(H,15,18).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 65031495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).