3-(2-methoxyphenyl)-3-[(2-pyridin-3-yl-1,3-oxazole-4-carbonyl)amino]propanoic acid

C19H17N3O5 — CID 167876097

IUPAC3-(2-methoxyphenyl)-3-[(2-pyridin-3-yl-1,3-oxazole-4-carbonyl)amino]propanoic acid
SMILESCOc1ccccc1C(CC(=O)O)NC(=O)c1coc(-c2cccnc2)n1
InChIInChI=1S/C19H17N3O5/c1-26-16-7-3-2-6-13(16)14(9-17(23)24)21-18(25)15-11-27-19(22-15)12-5-4-8-20-10-12/h2-8,10-11,14H,9H2,1H3,(H,21,25)(H,23,24)
InChIKeyIWEOLDSQFBQPTN-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.69
Rot. Bonds7

About 3-(2-methoxyphenyl)-3-[(2-pyridin-3-yl-1,3-oxazole-4-carbonyl)amino]propanoic acid

3-(2-methoxyphenyl)-3-[(2-pyridin-3-yl-1,3-oxazole-4-carbonyl)amino]propanoic acid (PubChem CID 167876097) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-3-[(2-pyridin-3-yl-1,3-oxazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-3-[(2-pyridin-3-yl-1,3-oxazole-4-carbonyl)amino]propanoic acid
PubChem CID167876097
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name3-(2-methoxyphenyl)-3-[(2-pyridin-3-yl-1,3-oxazole-4-carbonyl)amino]propanoic acid
SMILESCOc1ccccc1C(CC(=O)O)NC(=O)c1coc(-c2cccnc2)n1
InChIInChI=1S/C19H17N3O5/c1-26-16-7-3-2-6-13(16)14(9-17(23)24)21-18(25)15-11-27-19(22-15)12-5-4-8-20-10-12/h2-8,10-11,14H,9H2,1H3,(H,21,25)(H,23,24)
InChIKeyIWEOLDSQFBQPTN-UHFFFAOYSA-N
XLogP2.69
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate
CID 139229794
2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 166211099
methyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate
CID 139229788
3-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoic acid
CID 119211721
N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-oxazole-4-carboxamide
CID 167967424
3-[(6-chloro-5-methoxypyridine-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 72661502
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-pyridin-3-yl-1,3-oxazole-4-carboxamide
CID 138034276
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 28560675
3,3-dimethyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
CID 91644907
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 94237762
3-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 44630853
3-[[6-(2-ethylfuran-3-yl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid
CID 90095496

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-3-[(2-pyridin-3-yl-1,3-oxazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-(2-methoxyphenyl)-3-[(2-pyridin-3-yl-1,3-oxazole-4-carbonyl)amino]propanoic acid (CID 167876097) is 3-(2-methoxyphenyl)-3-[(2-pyridin-3-yl-1,3-oxazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-(2-methoxyphenyl)-3-[(2-pyridin-3-yl-1,3-oxazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-(2-methoxyphenyl)-3-[(2-pyridin-3-yl-1,3-oxazole-4-carbonyl)amino]propanoic acid is COc1ccccc1C(CC(=O)O)NC(=O)c1coc(-c2cccnc2)n1.
What is the InChIKey of 3-(2-methoxyphenyl)-3-[(2-pyridin-3-yl-1,3-oxazole-4-carbonyl)amino]propanoic acid?
The InChIKey is IWEOLDSQFBQPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-26-16-7-3-2-6-13(16)14(9-17(23)24)21-18(25)15-11-27-19(22-15)12-5-4-8-20-10-12/h2-8,10-11,14H,9H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 3-(2-methoxyphenyl)-3-[(2-pyridin-3-yl-1,3-oxazole-4-carbonyl)amino]propanoic acid?
3-(2-methoxyphenyl)-3-[(2-pyridin-3-yl-1,3-oxazole-4-carbonyl)amino]propanoic acid has a molecular weight of 367.36 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-3-[(2-pyridin-3-yl-1,3-oxazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 167876097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).