2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid

C14H16N2O3 — CID 62109509

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid
SMILESCc1nc(CNC(C(=O)O)c2ccccc2)oc1C
InChIInChI=1S/C14H16N2O3/c1-9-10(2)19-12(16-9)8-15-13(14(17)18)11-6-4-3-5-7-11/h3-7,13,15H,8H2,1-2H3,(H,17,18)
InChIKeyUWSBRNHVWPGOEC-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.21
Rot. Bonds5

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid (PubChem CID 62109509) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid
PubChem CID62109509
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid
SMILESCc1nc(CNC(C(=O)O)c2ccccc2)oc1C
InChIInChI=1S/C14H16N2O3/c1-9-10(2)19-12(16-9)8-15-13(14(17)18)11-6-4-3-5-7-11/h3-7,13,15H,8H2,1-2H3,(H,17,18)
InChIKeyUWSBRNHVWPGOEC-UHFFFAOYSA-N
XLogP2.21
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid
CID 106373563
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutanoic acid
CID 106372714
2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
CID 62108837
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75517881
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-phenyl-3-sulfanylidenepropanamide
CID 106372336
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxypropanoic acid
CID 106373630
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(2S,4S)-4-hydroxy-4-phenylbutan-2-yl]urea
CID 97224444
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]urea
CID 97224446
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-phenylbutan-2-amine
CID 104787618
2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-phenylethanone
CID 134858282
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide
CID 103795817

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid (CID 62109509) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid is Cc1nc(CNC(C(=O)O)c2ccccc2)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid?
The InChIKey is UWSBRNHVWPGOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-10(2)19-12(16-9)8-15-13(14(17)18)11-6-4-3-5-7-11/h3-7,13,15H,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid has a molecular weight of 260.29 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid is sourced from PubChem (CID 62109509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).