2-methoxy-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid

C14H16N2O5 — CID 106107378

IUPAC2-methoxy-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid
SMILESCOC(CNC(=O)C1CC(c2ccccc2)=NO1)C(=O)O
InChIInChI=1S/C14H16N2O5/c1-20-12(14(18)19)8-15-13(17)11-7-10(16-21-11)9-5-3-2-4-6-9/h2-6,11-12H,7-8H2,1H3,(H,15,17)(H,18,19)
InChIKeyIFLKTSUJIBZUNT-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.40
Rot. Bonds6

About 2-methoxy-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid

2-methoxy-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid (PubChem CID 106107378) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-methoxy-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid
PubChem CID106107378
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name2-methoxy-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid
SMILESCOC(CNC(=O)C1CC(c2ccccc2)=NO1)C(=O)O
InChIInChI=1S/C14H16N2O5/c1-20-12(14(18)19)8-15-13(17)11-7-10(16-21-11)9-5-3-2-4-6-9/h2-6,11-12H,7-8H2,1H3,(H,15,17)(H,18,19)
InChIKeyIFLKTSUJIBZUNT-UHFFFAOYSA-N
XLogP0.40
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 115700378
2,2-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 81369512
3-methyl-2-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 43353871
N-(2-methylpropoxy)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 115410297
N-[(3-methyloxetan-3-yl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 78957069
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 49353685
(5S)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 30216143
(5R)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 30216146
N-[(2S)-1-hydroxybutan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 104981037
N-[bis(4-methoxyphenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55675627
(5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638470
1-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone
CID 822979

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid (CID 106107378) is 2-methoxy-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid is COC(CNC(=O)C1CC(c2ccccc2)=NO1)C(=O)O.
What is the InChIKey of 2-methoxy-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The InChIKey is IFLKTSUJIBZUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-20-12(14(18)19)8-15-13(17)11-7-10(16-21-11)9-5-3-2-4-6-9/h2-6,11-12H,7-8H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-methoxy-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid?
2-methoxy-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid has a molecular weight of 292.29 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 106107378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).