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

C13H14N2O3 — CID 43418328

IUPACN-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCC(O)CNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C13H14N2O3/c1-9(16)8-14-13(17)11-7-12(18-15-11)10-5-3-2-4-6-10/h2-7,9,16H,8H2,1H3,(H,14,17)
InChIKeySPDCSLHFTYDHLJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.45
Rot. Bonds4

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

N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 43418328) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID43418328
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC NameN-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCC(O)CNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C13H14N2O3/c1-9(16)8-14-13(17)11-7-12(18-15-11)10-5-3-2-4-6-10/h2-7,9,16H,8H2,1H3,(H,14,17)
InChIKeySPDCSLHFTYDHLJ-UHFFFAOYSA-N
XLogP1.45
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 120827875
N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 65031495
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-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
N-(2-hydroxypropyl)-5-(4-propylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 91949838
N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51103232
N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 93486036
N-[2-[[(2S)-2-(dimethylamino)propyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95383413
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

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 43418328) is N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide is CC(O)CNC(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is SPDCSLHFTYDHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9(16)8-14-13(17)11-7-12(18-15-11)10-5-3-2-4-6-10/h2-7,9,16H,8H2,1H3,(H,14,17).
What are the key properties of N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 43418328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).