2-[3-(3,4-dimethoxyphenyl)-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid

C19H19N3O6 — CID 4895396

IUPAC2-[3-(3,4-dimethoxyphenyl)-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid
SMILESCOc1ccc(C2=NOC(CC(=O)O)(C(=O)Nc3ccccn3)C2)cc1OC
InChIInChI=1S/C19H19N3O6/c1-26-14-7-6-12(9-15(14)27-2)13-10-19(28-22-13,11-17(23)24)18(25)21-16-5-3-4-8-20-16/h3-9H,10-11H2,1-2H3,(H,23,24)(H,20,21,25)
InChIKeyKAZDTIJTFXSLFM-UHFFFAOYSA-N
MW385.38 g/mol
LogP2.08
Rot. Bonds7

About 2-[3-(3,4-dimethoxyphenyl)-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid

2-[3-(3,4-dimethoxyphenyl)-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid (PubChem CID 4895396) has the molecular formula C19H19N3O6 and a molecular weight of 385.38 g/mol. Its IUPAC name is 2-[3-(3,4-dimethoxyphenyl)-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3,4-dimethoxyphenyl)-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid
PubChem CID4895396
Molecular FormulaC19H19N3O6
Molecular Weight385.38 g/mol
Exact Mass385.13
IUPAC Name2-[3-(3,4-dimethoxyphenyl)-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid
SMILESCOc1ccc(C2=NOC(CC(=O)O)(C(=O)Nc3ccccn3)C2)cc1OC
InChIInChI=1S/C19H19N3O6/c1-26-14-7-6-12(9-15(14)27-2)13-10-19(28-22-13,11-17(23)24)18(25)21-16-5-3-4-8-20-16/h3-9H,10-11H2,1-2H3,(H,23,24)(H,20,21,25)
InChIKeyKAZDTIJTFXSLFM-UHFFFAOYSA-N
XLogP2.08
TPSA119.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid
CID 4898736
2-[5-(tert-butylcarbamoyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid
CID 4892884
2-[(5R)-3-(4-bromophenyl)-5-[(2-methoxy-5-nitrophenyl)carbamoyl]-4H-1,2-oxazol-5-yl]acetic acid
CID 26885735
3-(2-methoxyphenyl)-5-methyl-N-pyridin-2-yl-4H-1,2-oxazole-5-carboxamide
CID 91946159
2-[3-(3-carbamimidoylphenyl)-5-[[5-(2-sulfamoylphenyl)-2-pyridinyl]carbamoyl]-4H-1,2-oxazol-5-yl]acetic acid
CID 100937647
2-(3,4-dimethoxyphenyl)-2-methyl-N-pyridin-2-ylpropanamide
CID 110439552
2-[5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-(4-methylphenyl)-4H-1,2-oxazol-5-yl]acetic acid
CID 78525619
1-[5-acetyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-4H-1,2-oxazol-5-yl]propan-2-one
CID 59550966
2-[(5S)-5-[(4-acetylphenyl)carbamoyl]-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic acid
CID 7693810
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55994634
3-(3,4-dimethoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-8-one
CID 58115383
[[5-benzyl-3-[3-(5-chloro-2-methoxyphenyl)phenyl]-4H-1,2-oxazole-5-carbonyl]amino]methylboronic acid
CID 174012432

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethoxyphenyl)-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(3,4-dimethoxyphenyl)-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid (CID 4895396) is 2-[3-(3,4-dimethoxyphenyl)-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(3,4-dimethoxyphenyl)-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(3,4-dimethoxyphenyl)-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid is COc1ccc(C2=NOC(CC(=O)O)(C(=O)Nc3ccccn3)C2)cc1OC.
What is the InChIKey of 2-[3-(3,4-dimethoxyphenyl)-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid?
The InChIKey is KAZDTIJTFXSLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6/c1-26-14-7-6-12(9-15(14)27-2)13-10-19(28-22-13,11-17(23)24)18(25)21-16-5-3-4-8-20-16/h3-9H,10-11H2,1-2H3,(H,23,24)(H,20,21,25).
What are the key properties of 2-[3-(3,4-dimethoxyphenyl)-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid?
2-[3-(3,4-dimethoxyphenyl)-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid has a molecular weight of 385.38 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethoxyphenyl)-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid is sourced from PubChem (CID 4895396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).