5-methyl-3-(3-propyl-1,2,4-triazol-1-yl)-1,2-oxazole

C9H12N4O — CID 135141990

IUPAC5-methyl-3-(3-propyl-1,2,4-triazol-1-yl)-1,2-oxazole
SMILESCCCc1ncn(-c2cc(C)on2)n1
InChIInChI=1S/C9H12N4O/c1-3-4-8-10-6-13(11-8)9-5-7(2)14-12-9/h5-6H,3-4H2,1-2H3
InChIKeyXYZPUXGNWUMDKO-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.52
Rot. Bonds3

About 5-methyl-3-(3-propyl-1,2,4-triazol-1-yl)-1,2-oxazole

5-methyl-3-(3-propyl-1,2,4-triazol-1-yl)-1,2-oxazole (PubChem CID 135141990) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 5-methyl-3-(3-propyl-1,2,4-triazol-1-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-(3-propyl-1,2,4-triazol-1-yl)-1,2-oxazole
PubChem CID135141990
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name5-methyl-3-(3-propyl-1,2,4-triazol-1-yl)-1,2-oxazole
SMILESCCCc1ncn(-c2cc(C)on2)n1
InChIInChI=1S/C9H12N4O/c1-3-4-8-10-6-13(11-8)9-5-7(2)14-12-9/h5-6H,3-4H2,1-2H3
InChIKeyXYZPUXGNWUMDKO-UHFFFAOYSA-N
XLogP1.52
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3-propyl-1,2,4-triazol-1-yl)-1,2-oxazole?
The IUPAC name of 5-methyl-3-(3-propyl-1,2,4-triazol-1-yl)-1,2-oxazole (CID 135141990) is 5-methyl-3-(3-propyl-1,2,4-triazol-1-yl)-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-(3-propyl-1,2,4-triazol-1-yl)-1,2-oxazole?
The canonical SMILES for 5-methyl-3-(3-propyl-1,2,4-triazol-1-yl)-1,2-oxazole is CCCc1ncn(-c2cc(C)on2)n1.
What is the InChIKey of 5-methyl-3-(3-propyl-1,2,4-triazol-1-yl)-1,2-oxazole?
The InChIKey is XYZPUXGNWUMDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-3-4-8-10-6-13(11-8)9-5-7(2)14-12-9/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-methyl-3-(3-propyl-1,2,4-triazol-1-yl)-1,2-oxazole?
5-methyl-3-(3-propyl-1,2,4-triazol-1-yl)-1,2-oxazole has a molecular weight of 192.22 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-propyl-1,2,4-triazol-1-yl)-1,2-oxazole is sourced from PubChem (CID 135141990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).