1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid

C9H10N4O3 — CID 62059930

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid
SMILESCc1nc(Cn2cc(C(=O)O)nn2)oc1C
InChIInChI=1S/C9H10N4O3/c1-5-6(2)16-8(10-5)4-13-3-7(9(14)15)11-12-13/h3H,4H2,1-2H3,(H,14,15)
InChIKeyCHZGXOGMQZANFF-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.63
Rot. Bonds3

About 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid (PubChem CID 62059930) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid
PubChem CID62059930
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid
SMILESCc1nc(Cn2cc(C(=O)O)nn2)oc1C
InChIInChI=1S/C9H10N4O3/c1-5-6(2)16-8(10-5)4-13-3-7(9(14)15)11-12-13/h3H,4H2,1-2H3,(H,14,15)
InChIKeyCHZGXOGMQZANFF-UHFFFAOYSA-N
XLogP0.63
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic 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

1-[1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-2,2,2-trifluoroethanone
CID 62580166
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642937
5-(Difluoromethyl)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid
CID 113720049
1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid
CID 55133640
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-5-methyltriazole-4-carboxylic acid
CID 62055938
[1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol
CID 62401087
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carbaldehyde
CID 66216783
1-[1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79309698
1-[1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol
CID 81443815
1-[1-(2,4-Dimethyl-1,3-oxazole-5-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 81622110
1-[2-[(2,4-Dimethyl-1,3-oxazole-5-carbonyl)amino]ethyl]triazole-4-carboxylic acid
CID 81622553
1-[1-[(5-Methyl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 81952175

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid (CID 62059930) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid is Cc1nc(Cn2cc(C(=O)O)nn2)oc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid?
The InChIKey is CHZGXOGMQZANFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-5-6(2)16-8(10-5)4-13-3-7(9(14)15)11-12-13/h3H,4H2,1-2H3,(H,14,15).
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid has a molecular weight of 222.20 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 62059930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).