4-(difluoromethyl)-2-(1,5-dimethyltriazol-4-yl)-1,3-oxazole

C8H8F2N4O — CID 167957502

IUPAC4-(difluoromethyl)-2-(1,5-dimethyltriazol-4-yl)-1,3-oxazole
SMILESCc1c(-c2nc(C(F)F)co2)nnn1C
InChIInChI=1S/C8H8F2N4O/c1-4-6(12-13-14(4)2)8-11-5(3-15-8)7(9)10/h3,7H,1-2H3
InChIKeyGJJHXPFIHQZPIE-UHFFFAOYSA-N
MW214.18 g/mol
LogP1.72
Rot. Bonds2

About 4-(difluoromethyl)-2-(1,5-dimethyltriazol-4-yl)-1,3-oxazole

4-(difluoromethyl)-2-(1,5-dimethyltriazol-4-yl)-1,3-oxazole (PubChem CID 167957502) has the molecular formula C8H8F2N4O and a molecular weight of 214.18 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(1,5-dimethyltriazol-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(1,5-dimethyltriazol-4-yl)-1,3-oxazole
PubChem CID167957502
Molecular FormulaC8H8F2N4O
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name4-(difluoromethyl)-2-(1,5-dimethyltriazol-4-yl)-1,3-oxazole
SMILESCc1c(-c2nc(C(F)F)co2)nnn1C
InChIInChI=1S/C8H8F2N4O/c1-4-6(12-13-14(4)2)8-11-5(3-15-8)7(9)10/h3,7H,1-2H3
InChIKeyGJJHXPFIHQZPIE-UHFFFAOYSA-N
XLogP1.72
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-(difluoromethyl)-1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxylate
CID 102644967
Ethyl 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-5-(trifluoromethyl)triazole-4-carboxylate
CID 103104735

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(1,5-dimethyltriazol-4-yl)-1,3-oxazole?
The IUPAC name of 4-(difluoromethyl)-2-(1,5-dimethyltriazol-4-yl)-1,3-oxazole (CID 167957502) is 4-(difluoromethyl)-2-(1,5-dimethyltriazol-4-yl)-1,3-oxazole.
What is the SMILES notation for 4-(difluoromethyl)-2-(1,5-dimethyltriazol-4-yl)-1,3-oxazole?
The canonical SMILES for 4-(difluoromethyl)-2-(1,5-dimethyltriazol-4-yl)-1,3-oxazole is Cc1c(-c2nc(C(F)F)co2)nnn1C.
What is the InChIKey of 4-(difluoromethyl)-2-(1,5-dimethyltriazol-4-yl)-1,3-oxazole?
The InChIKey is GJJHXPFIHQZPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4O/c1-4-6(12-13-14(4)2)8-11-5(3-15-8)7(9)10/h3,7H,1-2H3.
What are the key properties of 4-(difluoromethyl)-2-(1,5-dimethyltriazol-4-yl)-1,3-oxazole?
4-(difluoromethyl)-2-(1,5-dimethyltriazol-4-yl)-1,3-oxazole has a molecular weight of 214.18 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(1,5-dimethyltriazol-4-yl)-1,3-oxazole is sourced from PubChem (CID 167957502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).