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

C12H14N4O3 — CID 62055092

IUPAC5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid
SMILESCc1nc(Cn2nnc(C(=O)O)c2C2CC2)oc1C
InChIInChI=1S/C12H14N4O3/c1-6-7(2)19-9(13-6)5-16-11(8-3-4-8)10(12(17)18)14-15-16/h8H,3-5H2,1-2H3,(H,17,18)
InChIKeyJXCWOYVYWTYEHA-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.51
Rot. Bonds4

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

5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid (PubChem CID 62055092) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid
PubChem CID62055092
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid
SMILESCc1nc(Cn2nnc(C(=O)O)c2C2CC2)oc1C
InChIInChI=1S/C12H14N4O3/c1-6-7(2)19-9(13-6)5-16-11(8-3-4-8)10(12(17)18)14-15-16/h8H,3-5H2,1-2H3,(H,17,18)
InChIKeyJXCWOYVYWTYEHA-UHFFFAOYSA-N
XLogP1.51
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid (CID 62055092) is 5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid is Cc1nc(Cn2nnc(C(=O)O)c2C2CC2)oc1C.
What is the InChIKey of 5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid?
The InChIKey is JXCWOYVYWTYEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-6-7(2)19-9(13-6)5-16-11(8-3-4-8)10(12(17)18)14-15-16/h8H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid?
5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid has a molecular weight of 262.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 62055092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).