4-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole

C10H13ClN4O — CID 79238259

IUPAC4-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole
SMILESCCc1nnc(Cl)n1Cc1c(C)noc1C
InChIInChI=1S/C10H13ClN4O/c1-4-9-12-13-10(11)15(9)5-8-6(2)14-16-7(8)3/h4-5H2,1-3H3
InChIKeyRCAHUYHWQMQSOZ-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.15
Rot. Bonds3

About 4-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole

4-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 79238259) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 4-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID79238259
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name4-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole
SMILESCCc1nnc(Cl)n1Cc1c(C)noc1C
InChIInChI=1S/C10H13ClN4O/c1-4-9-12-13-10(11)15(9)5-8-6(2)14-16-7(8)3/h4-5H2,1-3H3
InChIKeyRCAHUYHWQMQSOZ-UHFFFAOYSA-N
XLogP2.15
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole (CID 79238259) is 4-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole is CCc1nnc(Cl)n1Cc1c(C)noc1C.
What is the InChIKey of 4-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is RCAHUYHWQMQSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-4-9-12-13-10(11)15(9)5-8-6(2)14-16-7(8)3/h4-5H2,1-3H3.
What are the key properties of 4-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole?
4-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 240.69 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 79238259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).