5-hydroxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-4-oxopyridine-3-carboxylic acid

C17H14N2O5 — CID 58067638

IUPAC5-hydroxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-4-oxopyridine-3-carboxylic acid
SMILESCc1onc(-c2ccccc2)c1Cn1cc(O)c(=O)c(C(=O)O)c1
InChIInChI=1S/C17H14N2O5/c1-10-12(15(18-24-10)11-5-3-2-4-6-11)7-19-8-13(17(22)23)16(21)14(20)9-19/h2-6,8-9,20H,7H2,1H3,(H,22,23)
InChIKeyCUOCQGMBSWKVAF-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.26
Rot. Bonds4

About 5-hydroxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-4-oxopyridine-3-carboxylic acid

5-hydroxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-4-oxopyridine-3-carboxylic acid (PubChem CID 58067638) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is 5-hydroxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-4-oxopyridine-3-carboxylic acid
PubChem CID58067638
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Name5-hydroxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-4-oxopyridine-3-carboxylic acid
SMILESCc1onc(-c2ccccc2)c1Cn1cc(O)c(=O)c(C(=O)O)c1
InChIInChI=1S/C17H14N2O5/c1-10-12(15(18-24-10)11-5-3-2-4-6-11)7-19-8-13(17(22)23)16(21)14(20)9-19/h2-6,8-9,20H,7H2,1H3,(H,22,23)
InChIKeyCUOCQGMBSWKVAF-UHFFFAOYSA-N
XLogP2.26
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
CID 2776147
ethyl 2-amino-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)propanoate
CID 170884921
N-hydroxy-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-oxoisoquinoline-7-carboxamide
CID 87413163
4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid
CID 58833412
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrol-1-ylmethanone
CID 2803917
1-(3,5-dimethylphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea
CID 2738199
2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-5-phenyl-1,2-thiazol-3-one
CID 90831233
1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea
CID 2764630
6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944038
methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate
CID 67492296
1-(4-chloro-2-hydroxy-5-methylphenyl)-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)propane-1,3-dione
CID 139215502
(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 69243758

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-4-oxopyridine-3-carboxylic acid (CID 58067638) is 5-hydroxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-4-oxopyridine-3-carboxylic acid is Cc1onc(-c2ccccc2)c1Cn1cc(O)c(=O)c(C(=O)O)c1.
What is the InChIKey of 5-hydroxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-4-oxopyridine-3-carboxylic acid?
The InChIKey is CUOCQGMBSWKVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c1-10-12(15(18-24-10)11-5-3-2-4-6-11)7-19-8-13(17(22)23)16(21)14(20)9-19/h2-6,8-9,20H,7H2,1H3,(H,22,23).
What are the key properties of 5-hydroxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-4-oxopyridine-3-carboxylic acid?
5-hydroxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-4-oxopyridine-3-carboxylic acid has a molecular weight of 326.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 58067638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).