(5S)-N-[(2S)-butan-2-yl]-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C14H18N2O3 — CID 135829531

IUPAC(5S)-N-[(2S)-butan-2-yl]-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC[C@H](C)NC(=O)[C@@H]1CC(c2ccccc2O)=NO1
InChIInChI=1S/C14H18N2O3/c1-3-9(2)15-14(18)13-8-11(16-19-13)10-6-4-5-7-12(10)17/h4-7,9,13,17H,3,8H2,1-2H3,(H,15,18)/t9-,13-/m0/s1
InChIKeyWZOFUGXFIVPXPH-ZANVPECISA-N
MW262.31 g/mol
LogP1.80
Rot. Bonds4

About (5S)-N-[(2S)-butan-2-yl]-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-N-[(2S)-butan-2-yl]-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 135829531) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (5S)-N-[(2S)-butan-2-yl]-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(2S)-butan-2-yl]-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID135829531
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(5S)-N-[(2S)-butan-2-yl]-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC[C@H](C)NC(=O)[C@@H]1CC(c2ccccc2O)=NO1
InChIInChI=1S/C14H18N2O3/c1-3-9(2)15-14(18)13-8-11(16-19-13)10-6-4-5-7-12(10)17/h4-7,9,13,17H,3,8H2,1-2H3,(H,15,18)/t9-,13-/m0/s1
InChIKeyWZOFUGXFIVPXPH-ZANVPECISA-N
XLogP1.80
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-N-[(2R)-butan-2-yl]-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7260010
(5S)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7260009
(5S)-3-(2-hydroxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1093706
3-(2-hydroxyphenyl)-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158148
3-(2-fluorophenyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 20869151
(5S)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95322598
(5R)-3-(2-hydroxyphenyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1302303
(5R)-N-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1302290
(5R)-3-(2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 135829519
N-[(2S)-1-hydroxybutan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 104981037
[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 135881511
(5S)-N-ethyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 93143687

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(2S)-butan-2-yl]-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-N-[(2S)-butan-2-yl]-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 135829531) is (5S)-N-[(2S)-butan-2-yl]-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-N-[(2S)-butan-2-yl]-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-N-[(2S)-butan-2-yl]-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CC[C@H](C)NC(=O)[C@@H]1CC(c2ccccc2O)=NO1.
What is the InChIKey of (5S)-N-[(2S)-butan-2-yl]-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is WZOFUGXFIVPXPH-ZANVPECISA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-9(2)15-14(18)13-8-11(16-19-13)10-6-4-5-7-12(10)17/h4-7,9,13,17H,3,8H2,1-2H3,(H,15,18)/t9-,13-/m0/s1.
What are the key properties of (5S)-N-[(2S)-butan-2-yl]-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-N-[(2S)-butan-2-yl]-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(2S)-butan-2-yl]-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 135829531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).