5-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid

C14H11N3O4 — CID 62374387

IUPAC5-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESCc1nc2ccccc2n(Cc2cc(C(=O)O)no2)c1=O
InChIInChI=1S/C14H11N3O4/c1-8-13(18)17(12-5-3-2-4-10(12)15-8)7-9-6-11(14(19)20)16-21-9/h2-6H,7H2,1H3,(H,19,20)
InChIKeyFPYMLMIXZBECPU-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.44
Rot. Bonds3

About 5-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid

5-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 62374387) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 5-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID62374387
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Name5-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESCc1nc2ccccc2n(Cc2cc(C(=O)O)no2)c1=O
InChIInChI=1S/C14H11N3O4/c1-8-13(18)17(12-5-3-2-4-10(12)15-8)7-9-6-11(14(19)20)16-21-9/h2-6H,7H2,1H3,(H,19,20)
InChIKeyFPYMLMIXZBECPU-UHFFFAOYSA-N
XLogP1.44
TPSA98.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-3-methylquinoxalin-2-one
CID 139051924
3-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylic acid
CID 62374530
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoxalin-2-one
CID 72940907
3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
CID 62374383
3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
CID 13170889
1-[(4-bromothiophen-2-yl)methyl]-3-methylquinoxalin-2-one
CID 62375019
N,N-dimethyl-5-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]furan-2-sulfonamide
CID 53498937
2-(3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide
CID 14616290
5-[(2-methylbenzimidazol-1-yl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 42595216
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylquinoxalin-2-one
CID 79765497
2-ethyl-4-(3-methyl-2-oxoquinoxalin-1-yl)but-2-enoic acid
CID 77101730

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (CID 62374387) is 5-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is Cc1nc2ccccc2n(Cc2cc(C(=O)O)no2)c1=O.
What is the InChIKey of 5-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is FPYMLMIXZBECPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4/c1-8-13(18)17(12-5-3-2-4-10(12)15-8)7-9-6-11(14(19)20)16-21-9/h2-6H,7H2,1H3,(H,19,20).
What are the key properties of 5-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 285.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 62374387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).