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

C11H14N4O3 — CID 62060767

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)nnn1Cc1nc(C)c(C)o1
InChIInChI=1S/C11H14N4O3/c1-4-8-10(11(16)17)13-14-15(8)5-9-12-6(2)7(3)18-9/h4-5H2,1-3H3,(H,16,17)
InChIKeyNGEPETKPCRONKT-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.19
Rot. Bonds4

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

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylic acid (PubChem CID 62060767) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylic acid
PubChem CID62060767
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)nnn1Cc1nc(C)c(C)o1
InChIInChI=1S/C11H14N4O3/c1-4-8-10(11(16)17)13-14-15(8)5-9-12-6(2)7(3)18-9/h4-5H2,1-3H3,(H,16,17)
InChIKeyNGEPETKPCRONKT-UHFFFAOYSA-N
XLogP1.19
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-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-[(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
5-Ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid
CID 55029869
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-Cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid
CID 62055092
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-5-methyltriazole-4-carboxylic acid
CID 62055938
5-Ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid
CID 62058996
5-Tert-butyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid
CID 62059300
1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylic acid
CID 62060439
1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]-5-propan-2-yltriazole-4-carboxylic acid
CID 62061268
5-Ethyl-1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxylic acid
CID 81952407

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylic acid?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylic acid (CID 62060767) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylic acid.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylic acid?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylic acid is CCc1c(C(=O)O)nnn1Cc1nc(C)c(C)o1.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylic acid?
The InChIKey is NGEPETKPCRONKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-4-8-10(11(16)17)13-14-15(8)5-9-12-6(2)7(3)18-9/h4-5H2,1-3H3,(H,16,17).
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylic acid?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylic acid has a molecular weight of 250.26 g/mol, XLogP of 1.19, 4 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-ethyltriazole-4-carboxylic acid is sourced from PubChem (CID 62060767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).