3-[4-[3-[[(4-methyl-2-pyridinyl)amino]methyl]-1,2-oxazol-5-yl]phenyl]propanoic acid

C19H19N3O3 — CID 143577922

IUPAC3-[4-[3-[[(4-methyl-2-pyridinyl)amino]methyl]-1,2-oxazol-5-yl]phenyl]propanoic acid
SMILESCc1ccnc(NCc2cc(-c3ccc(CCC(=O)O)cc3)on2)c1
InChIInChI=1S/C19H19N3O3/c1-13-8-9-20-18(10-13)21-12-16-11-17(25-22-16)15-5-2-14(3-6-15)4-7-19(23)24/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,20,21)(H,23,24)
InChIKeyREXLWRHININNTO-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.67
Rot. Bonds7

About 3-[4-[3-[[(4-methyl-2-pyridinyl)amino]methyl]-1,2-oxazol-5-yl]phenyl]propanoic acid

3-[4-[3-[[(4-methyl-2-pyridinyl)amino]methyl]-1,2-oxazol-5-yl]phenyl]propanoic acid (PubChem CID 143577922) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-[4-[3-[[(4-methyl-2-pyridinyl)amino]methyl]-1,2-oxazol-5-yl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[3-[[(4-methyl-2-pyridinyl)amino]methyl]-1,2-oxazol-5-yl]phenyl]propanoic acid
PubChem CID143577922
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name3-[4-[3-[[(4-methyl-2-pyridinyl)amino]methyl]-1,2-oxazol-5-yl]phenyl]propanoic acid
SMILESCc1ccnc(NCc2cc(-c3ccc(CCC(=O)O)cc3)on2)c1
InChIInChI=1S/C19H19N3O3/c1-13-8-9-20-18(10-13)21-12-16-11-17(25-22-16)15-5-2-14(3-6-15)4-7-19(23)24/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,20,21)(H,23,24)
InChIKeyREXLWRHININNTO-UHFFFAOYSA-N
XLogP3.67
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-[3-[[(4-methyl-2-pyridinyl)amino]methyl]-1,2-oxazol-5-yl]phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-methyl-2-pyridinyl)acetamide
CID 16878879
3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid
CID 53414694
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(4-methyl-2-pyridinyl)acetamide
CID 20906258
2-[(2-ethyl-4-fluoro-6-methylbenzoyl)amino]-3-[4-[3-[[(4-methoxy-2-pyridinyl)amino]methyl]-1,2-oxazol-5-yl]phenyl]propanoic acid
CID 68950790
4-methyl-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine
CID 80702925
N-(4-methyl-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 19581183
6-[(4-methyl-2-pyridinyl)amino]hexanoic acid
CID 18518012
3-[3-[(5-methyl-1,2-oxazol-3-yl)methylamino]phenyl]propanoic acid
CID 122044219
3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866600
3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 60988202
N-methyl-6-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyridazine-3-carboxamide
CID 133343449
(2S)-3-[4-[3-[[(4-methyl-2,3-dihydropyridin-6-yl)amino]methyl]-1,2-oxazol-5-yl]phenyl]-2-[(2,4,6-trimethylbenzoyl)amino]propanoic acid
CID 70312234

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-[[(4-methyl-2-pyridinyl)amino]methyl]-1,2-oxazol-5-yl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[3-[[(4-methyl-2-pyridinyl)amino]methyl]-1,2-oxazol-5-yl]phenyl]propanoic acid (CID 143577922) is 3-[4-[3-[[(4-methyl-2-pyridinyl)amino]methyl]-1,2-oxazol-5-yl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[3-[[(4-methyl-2-pyridinyl)amino]methyl]-1,2-oxazol-5-yl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[3-[[(4-methyl-2-pyridinyl)amino]methyl]-1,2-oxazol-5-yl]phenyl]propanoic acid is Cc1ccnc(NCc2cc(-c3ccc(CCC(=O)O)cc3)on2)c1.
What is the InChIKey of 3-[4-[3-[[(4-methyl-2-pyridinyl)amino]methyl]-1,2-oxazol-5-yl]phenyl]propanoic acid?
The InChIKey is REXLWRHININNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13-8-9-20-18(10-13)21-12-16-11-17(25-22-16)15-5-2-14(3-6-15)4-7-19(23)24/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,20,21)(H,23,24).
What are the key properties of 3-[4-[3-[[(4-methyl-2-pyridinyl)amino]methyl]-1,2-oxazol-5-yl]phenyl]propanoic acid?
3-[4-[3-[[(4-methyl-2-pyridinyl)amino]methyl]-1,2-oxazol-5-yl]phenyl]propanoic acid has a molecular weight of 337.38 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-[[(4-methyl-2-pyridinyl)amino]methyl]-1,2-oxazol-5-yl]phenyl]propanoic acid is sourced from PubChem (CID 143577922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).