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

C14H16N2O3 — CID 43428096

IUPACN-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCCC(CO)NC(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C14H16N2O3/c1-2-11(9-17)15-14(18)13-8-12(16-19-13)10-6-4-3-5-7-10/h3-8,11,17H,2,9H2,1H3,(H,15,18)
InChIKeyHJWDKUKHABPDND-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.84
Rot. Bonds5

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

N-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 43428096) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID43428096
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCCC(CO)NC(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C14H16N2O3/c1-2-11(9-17)15-14(18)13-8-12(16-19-13)10-6-4-3-5-7-10/h3-8,11,17H,2,9H2,1H3,(H,15,18)
InChIKeyHJWDKUKHABPDND-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43418024
N-[(2S)-1-hydroxybutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104981056
4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119188577
(2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 61137160
3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid
CID 119212192
3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 103856479
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
1-(3-phenyl-1,2-oxazol-5-yl)butan-1-one
CID 10130602
N-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 65314948
3-phenyl-N-(2,4,4-trimethylpentan-2-yl)-1,2-oxazole-5-carboxamide
CID 55670941
N-[1-(hydroxymethyl)cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 115877876
4-bromo-N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 110907793

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide (CID 43428096) is N-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide is CCC(CO)NC(=O)c1cc(-c2ccccc2)no1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is HJWDKUKHABPDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-11(9-17)15-14(18)13-8-12(16-19-13)10-6-4-3-5-7-10/h3-8,11,17H,2,9H2,1H3,(H,15,18).
What are the key properties of N-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide?
N-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 43428096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).