N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide

C14H16N2O3 — CID 96560012

IUPACN-[(2S)-1-methoxy-2-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCOC[C@@](C)(NC(=O)c1ccon1)c1ccccc1
InChIInChI=1S/C14H16N2O3/c1-14(10-18-2,11-6-4-3-5-7-11)15-13(17)12-8-9-19-16-12/h3-9H,10H2,1-2H3,(H,15,17)/t14-/m1/s1
InChIKeyQRDNNNXNAUZTII-CQSZACIVSA-N
MW260.29 g/mol
LogP1.97
Rot. Bonds5

About N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide

N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 96560012) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxy-2-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID96560012
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-[(2S)-1-methoxy-2-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCOC[C@@](C)(NC(=O)c1ccon1)c1ccccc1
InChIInChI=1S/C14H16N2O3/c1-14(10-18-2,11-6-4-3-5-7-11)15-13(17)12-8-9-19-16-12/h3-9H,10H2,1-2H3,(H,15,17)/t14-/m1/s1
InChIKeyQRDNNNXNAUZTII-CQSZACIVSA-N
XLogP1.97
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-methoxy-2-phenylpropan-2-yl]-2-(1,2-oxazol-3-yl)acetamide
CID 96560017
3-N-(1-methoxy-2-phenylpropan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 71860822
N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 97066107
N-[(2R)-1-methoxy-2-phenylpropan-2-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 96560022
3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid
CID 115909849
N-(2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 130679942
N-[3-(hydroxymethyl)pentan-3-yl]-1,2-oxazole-3-carboxamide
CID 62520148
N-[(2R)-1-methoxy-2-phenylpropan-2-yl]-3-[(2R)-oxolan-2-yl]propanamide
CID 96559972
2-(3-hydroxyphenyl)-N-(1-methoxy-2-phenylpropan-2-yl)acetamide
CID 75518765
N-(1-hydroxy-2-phenylpropan-2-yl)pyridine-2-carboxamide
CID 105059023
(3R)-1-(cyclopropanecarbonyl)-N-[(2S)-1-methoxy-2-phenylpropan-2-yl]piperidine-3-carboxamide
CID 96559975
(3S)-1-(cyclopropanecarbonyl)-N-[(2S)-1-methoxy-2-phenylpropan-2-yl]piperidine-3-carboxamide
CID 96559977

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide (CID 96560012) is N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide is COC[C@@](C)(NC(=O)c1ccon1)c1ccccc1.
What is the InChIKey of N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is QRDNNNXNAUZTII-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-14(10-18-2,11-6-4-3-5-7-11)15-13(17)12-8-9-19-16-12/h3-9H,10H2,1-2H3,(H,15,17)/t14-/m1/s1.
What are the key properties of N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide?
N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 96560012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).