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

C8H10N4O — CID 115395448

IUPAC2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-oxazole
SMILESCc1nc(C)c(-c2nncn2C)o1
InChIInChI=1S/C8H10N4O/c1-5-7(13-6(2)10-5)8-11-9-4-12(8)3/h4H,1-3H3
InChIKeyAPBVESHKTJQHMK-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.09
Rot. Bonds1

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

2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-oxazole (PubChem CID 115395448) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-oxazole
PubChem CID115395448
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-oxazole
SMILESCc1nc(C)c(-c2nncn2C)o1
InChIInChI=1S/C8H10N4O/c1-5-7(13-6(2)10-5)8-11-9-4-12(8)3/h4H,1-3H3
InChIKeyAPBVESHKTJQHMK-UHFFFAOYSA-N
XLogP1.09
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-(2,3,4,5,6-pentafluorophenyl)-1,2,4-triazole
CID 115395285
4-methyl-3-(1H-pyrrol-2-yl)-1,2,4-triazole
CID 136631027
2-bromo-5-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole
CID 114771301
3-(4-bromophenyl)-4-methyl-1,2,4-triazole
CID 79014882
3-(5-ethylthiophen-2-yl)-4-methyl-1,2,4-triazole
CID 115395259
5-(3,4-dimethoxyphenyl)-2,4-dimethyl-1,3-oxazole
CID 13268420
3-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 115395215
2-(4-methyl-1,2,4-triazol-3-yl)pyrazine
CID 15455218
6-chloro-2-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 169253829
3-(3-bromo-4-methylphenyl)-4-methyl-1,2,4-triazole
CID 115395408
3-(3-chlorophenyl)-4-methyl-1,2,4-triazole
CID 79002375
5-hydroxy-3-methyl-2-(4-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614148

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-oxazole?
The IUPAC name of 2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-oxazole (CID 115395448) is 2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-oxazole.
What is the SMILES notation for 2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-oxazole?
The canonical SMILES for 2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-oxazole is Cc1nc(C)c(-c2nncn2C)o1.
What is the InChIKey of 2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-oxazole?
The InChIKey is APBVESHKTJQHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-5-7(13-6(2)10-5)8-11-9-4-12(8)3/h4H,1-3H3.
What are the key properties of 2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-oxazole?
2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-oxazole has a molecular weight of 178.19 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-oxazole is sourced from PubChem (CID 115395448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).