(5S)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide

C16H20N2O3 — CID 97465357

IUPAC(5S)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESC[C@@]1(C(=O)NC[C@H]2CCCO2)CC(c2ccccc2)=NO1
InChIInChI=1S/C16H20N2O3/c1-16(15(19)17-11-13-8-5-9-20-13)10-14(18-21-16)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,17,19)/t13-,16+/m1/s1
InChIKeyRRYGEVCSJJYCFY-CJNGLKHVSA-N
MW288.35 g/mol
LogP1.86
Rot. Bonds4

About (5S)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide

(5S)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 97465357) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (5S)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide
PubChem CID97465357
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(5S)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESC[C@@]1(C(=O)NC[C@H]2CCCO2)CC(c2ccccc2)=NO1
InChIInChI=1S/C16H20N2O3/c1-16(15(19)17-11-13-8-5-9-20-13)10-14(18-21-16)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,17,19)/t13-,16+/m1/s1
InChIKeyRRYGEVCSJJYCFY-CJNGLKHVSA-N
XLogP1.86
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 91954151
1-N-(oxolan-2-ylmethyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108973227
N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
CID 110683568
(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051942
1-N'-benzyl-1-N'-methyl-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108973228
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide
CID 113200525
N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 50985207
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
1-N'-benzyl-1-N-(oxolan-2-ylmethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108973277
N-(oxolan-2-ylmethyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 133159030

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide (CID 97465357) is (5S)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide is C[C@@]1(C(=O)NC[C@H]2CCCO2)CC(c2ccccc2)=NO1.
What is the InChIKey of (5S)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is RRYGEVCSJJYCFY-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-16(15(19)17-11-13-8-5-9-20-13)10-14(18-21-16)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,17,19)/t13-,16+/m1/s1.
What are the key properties of (5S)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide?
(5S)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97465357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).