5-tert-butyl-3-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-1,2-oxazole

C15H15ClN4O — CID 141270233

IUPAC5-tert-butyl-3-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-1,2-oxazole
SMILESCC(C)(C)c1onc(-c2ccc(Cl)cc2)c1-n1cncn1
InChIInChI=1S/C15H15ClN4O/c1-15(2,3)14-13(20-9-17-8-18-20)12(19-21-14)10-4-6-11(16)7-5-10/h4-9H,1-3H3
InChIKeyRFPCBLOFVITUOX-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.87
Rot. Bonds2

About 5-tert-butyl-3-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-1,2-oxazole

5-tert-butyl-3-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-1,2-oxazole (PubChem CID 141270233) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 5-tert-butyl-3-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-tert-butyl-3-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-1,2-oxazole
PubChem CID141270233
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name5-tert-butyl-3-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-1,2-oxazole
SMILESCC(C)(C)c1onc(-c2ccc(Cl)cc2)c1-n1cncn1
InChIInChI=1S/C15H15ClN4O/c1-15(2,3)14-13(20-9-17-8-18-20)12(19-21-14)10-4-6-11(16)7-5-10/h4-9H,1-3H3
InChIKeyRFPCBLOFVITUOX-UHFFFAOYSA-N
XLogP3.87
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-1,2-oxazole?
The IUPAC name of 5-tert-butyl-3-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-1,2-oxazole (CID 141270233) is 5-tert-butyl-3-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-1,2-oxazole.
What is the SMILES notation for 5-tert-butyl-3-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-1,2-oxazole?
The canonical SMILES for 5-tert-butyl-3-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-1,2-oxazole is CC(C)(C)c1onc(-c2ccc(Cl)cc2)c1-n1cncn1.
What is the InChIKey of 5-tert-butyl-3-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-1,2-oxazole?
The InChIKey is RFPCBLOFVITUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-15(2,3)14-13(20-9-17-8-18-20)12(19-21-14)10-4-6-11(16)7-5-10/h4-9H,1-3H3.
What are the key properties of 5-tert-butyl-3-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-1,2-oxazole?
5-tert-butyl-3-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-1,2-oxazole has a molecular weight of 302.77 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-1,2-oxazole is sourced from PubChem (CID 141270233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).