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

C15H16N2O5 — CID 120532079

IUPAC3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
SMILESCOc1cc(C(=O)NC(CC(=O)O)c2ccccc2C)on1
InChIInChI=1S/C15H16N2O5/c1-9-5-3-4-6-10(9)11(7-14(18)19)16-15(20)12-8-13(21-2)17-22-12/h3-6,8,11H,7H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyNDGCRJDEKQOSDW-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.94
Rot. Bonds6

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

3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-3-(2-methylphenyl)propanoic acid (PubChem CID 120532079) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-3-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
PubChem CID120532079
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
SMILESCOc1cc(C(=O)NC(CC(=O)O)c2ccccc2C)on1
InChIInChI=1S/C15H16N2O5/c1-9-5-3-4-6-10(9)11(7-14(18)19)16-15(20)12-8-13(21-2)17-22-12/h3-6,8,11H,7H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyNDGCRJDEKQOSDW-UHFFFAOYSA-N
XLogP1.94
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 90573752
3-(2-methylphenyl)-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
CID 90094238
3-[(6-chloro-5-methoxypyridine-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 72661502
(3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 99851595
3-(methylamino)-3-(2-methylphenyl)propanoic acid
CID 65236485
N-[(2R)-2-(4-chlorophenyl)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 100717083
3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 90093433
3-[[6-methoxy-5-(3-methylphenyl)pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 122472322
3-[1-(2-methylphenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369381
(E)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]hex-4-enoic acid
CID 120693945
3-[(1-benzyl-5-phenylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 71269586
3-(2-ethylbutanoylamino)-3-(2-methylphenyl)propanoic acid
CID 120606642

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-3-(2-methylphenyl)propanoic acid?
The IUPAC name of 3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-3-(2-methylphenyl)propanoic acid (CID 120532079) is 3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-3-(2-methylphenyl)propanoic acid.
What is the SMILES notation for 3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-3-(2-methylphenyl)propanoic acid?
The canonical SMILES for 3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-3-(2-methylphenyl)propanoic acid is COc1cc(C(=O)NC(CC(=O)O)c2ccccc2C)on1.
What is the InChIKey of 3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-3-(2-methylphenyl)propanoic acid?
The InChIKey is NDGCRJDEKQOSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-9-5-3-4-6-10(9)11(7-14(18)19)16-15(20)12-8-13(21-2)17-22-12/h3-6,8,11H,7H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-3-(2-methylphenyl)propanoic acid?
3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-3-(2-methylphenyl)propanoic acid has a molecular weight of 304.30 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-3-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 120532079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).