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

C13H14N2O3 — CID 106373563

IUPAC2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid
SMILESCc1cnc(CNC(C(=O)O)c2ccccc2)o1
InChIInChI=1S/C13H14N2O3/c1-9-7-14-11(18-9)8-15-12(13(16)17)10-5-3-2-4-6-10/h2-7,12,15H,8H2,1H3,(H,16,17)
InChIKeyWVVCQBJSQGHHPD-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.90
Rot. Bonds5

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

2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid (PubChem CID 106373563) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid
PubChem CID106373563
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid
SMILESCc1cnc(CNC(C(=O)O)c2ccccc2)o1
InChIInChI=1S/C13H14N2O3/c1-9-7-14-11(18-9)8-15-12(13(16)17)10-5-3-2-4-6-10/h2-7,12,15H,8H2,1H3,(H,16,17)
InChIKeyWVVCQBJSQGHHPD-UHFFFAOYSA-N
XLogP1.90
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid
CID 62109509
2-[(5-methyl-1,3-oxazole-2-carbonyl)amino]-2-phenylacetic acid
CID 110835169
methyl 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanoate
CID 106372343
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanamide
CID 106371987
2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
CID 62108837
(2S)-2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-phenylacetic acid
CID 122038564
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 103917075
2-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanoic acid
CID 106373556
(2S)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120511819
(2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120510362
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-phenylbenzamide
CID 110660378

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid?
The IUPAC name of 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid (CID 106373563) is 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid is Cc1cnc(CNC(C(=O)O)c2ccccc2)o1.
What is the InChIKey of 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid?
The InChIKey is WVVCQBJSQGHHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9-7-14-11(18-9)8-15-12(13(16)17)10-5-3-2-4-6-10/h2-7,12,15H,8H2,1H3,(H,16,17).
What are the key properties of 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid?
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid has a molecular weight of 246.27 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid is sourced from PubChem (CID 106373563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).