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

C10H12N4O3 — CID 62055938

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyltriazole-4-carboxylic acid
SMILESCc1nc(Cn2nnc(C(=O)O)c2C)oc1C
InChIInChI=1S/C10H12N4O3/c1-5-7(3)17-8(11-5)4-14-6(2)9(10(15)16)12-13-14/h4H2,1-3H3,(H,15,16)
InChIKeyNCNNWIGRBXEZGA-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.94
Rot. Bonds3

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

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyltriazole-4-carboxylic acid (PubChem CID 62055938) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyltriazole-4-carboxylic acid
PubChem CID62055938
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyltriazole-4-carboxylic acid
SMILESCc1nc(Cn2nnc(C(=O)O)c2C)oc1C
InChIInChI=1S/C10H12N4O3/c1-5-7(3)17-8(11-5)4-14-6(2)9(10(15)16)12-13-14/h4H2,1-3H3,(H,15,16)
InChIKeyNCNNWIGRBXEZGA-UHFFFAOYSA-N
XLogP0.94
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyltriazole-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-[(5-Methyl-1,3-oxazol-4-yl)methyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642839
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642937
5-(Difluoromethyl)-1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxylic acid
CID 102644683
Ethyl 5-(difluoromethyl)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylate
CID 102645037
5-(Difluoromethyl)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid
CID 113720049
(4,5-Dimethyl-1,3-oxazol-2-yl)methyl 1-cyclopropyl-5-(trifluoromethyl)triazole-4-carboxylate
CID 154749544
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-5-propyltriazole-4-carboxylic acid
CID 62054579
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-5-propan-2-yltriazole-4-carboxylic acid
CID 62055033
5-Tert-butyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid
CID 62059300
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid
CID 62059930
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylic acid
CID 62060767
5-Methyl-1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxylic acid
CID 81952429

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyltriazole-4-carboxylic acid?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyltriazole-4-carboxylic acid (CID 62055938) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyltriazole-4-carboxylic acid.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyltriazole-4-carboxylic acid?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyltriazole-4-carboxylic acid is Cc1nc(Cn2nnc(C(=O)O)c2C)oc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyltriazole-4-carboxylic acid?
The InChIKey is NCNNWIGRBXEZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-5-7(3)17-8(11-5)4-14-6(2)9(10(15)16)12-13-14/h4H2,1-3H3,(H,15,16).
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyltriazole-4-carboxylic acid?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyltriazole-4-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of 0.94, 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]-5-methyltriazole-4-carboxylic acid is sourced from PubChem (CID 62055938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).