3-butan-2-yl-N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-5-carboxamide

C16H20N2O3 — CID 110001735

IUPAC3-butan-2-yl-N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-5-carboxamide
SMILESCCC(C)c1cc(C(=O)N[C@H](CO)c2ccccc2)on1
InChIInChI=1S/C16H20N2O3/c1-3-11(2)13-9-15(21-18-13)16(20)17-14(10-19)12-7-5-4-6-8-12/h4-9,11,14,19H,3,10H2,1-2H3,(H,17,20)/t11?,14-/m1/s1
InChIKeyKCDZHAZWQJGJHE-SBXXRYSUSA-N
MW288.35 g/mol
LogP2.65
Rot. Bonds6

About 3-butan-2-yl-N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-5-carboxamide

3-butan-2-yl-N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-5-carboxamide (PubChem CID 110001735) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-butan-2-yl-N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-butan-2-yl-N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-5-carboxamide
PubChem CID110001735
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-butan-2-yl-N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-5-carboxamide
SMILESCCC(C)c1cc(C(=O)N[C@H](CO)c2ccccc2)on1
InChIInChI=1S/C16H20N2O3/c1-3-11(2)13-9-15(21-18-13)16(20)17-14(10-19)12-7-5-4-6-8-12/h4-9,11,14,19H,3,10H2,1-2H3,(H,17,20)/t11?,14-/m1/s1
InChIKeyKCDZHAZWQJGJHE-SBXXRYSUSA-N
XLogP2.65
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 103944578
2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119225874
N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 95027054
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 103944559
3-butan-2-yl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide
CID 111477071
4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 103945042
N-(2-hydroxy-1-phenylethyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110001205
N-[(1R)-2-hydroxy-1-phenylethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 103944448
N-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 43428096
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
3-(2-methylpropyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide
CID 70770272

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-butan-2-yl-N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-5-carboxamide (CID 110001735) is 3-butan-2-yl-N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-butan-2-yl-N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-butan-2-yl-N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-5-carboxamide is CCC(C)c1cc(C(=O)N[C@H](CO)c2ccccc2)on1.
What is the InChIKey of 3-butan-2-yl-N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is KCDZHAZWQJGJHE-SBXXRYSUSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-11(2)13-9-15(21-18-13)16(20)17-14(10-19)12-7-5-4-6-8-12/h4-9,11,14,19H,3,10H2,1-2H3,(H,17,20)/t11?,14-/m1/s1.
What are the key properties of 3-butan-2-yl-N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-5-carboxamide?
3-butan-2-yl-N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 110001735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).