5-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole

C14H12N4O — CID 50954371

IUPAC5-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole
SMILESc1ccc(-n2nc(C3CC3)nc2-c2ccno2)cc1
InChIInChI=1S/C14H12N4O/c1-2-4-11(5-3-1)18-14(12-8-9-15-19-12)16-13(17-18)10-6-7-10/h1-5,8-10H,6-7H2
InChIKeyDMMDBRXRKXEKSN-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.80
Rot. Bonds3

About 5-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole

5-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole (PubChem CID 50954371) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 5-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole
PubChem CID50954371
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name5-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole
SMILESc1ccc(-n2nc(C3CC3)nc2-c2ccno2)cc1
InChIInChI=1S/C14H12N4O/c1-2-4-11(5-3-1)18-14(12-8-9-15-19-12)16-13(17-18)10-6-7-10/h1-5,8-10H,6-7H2
InChIKeyDMMDBRXRKXEKSN-UHFFFAOYSA-N
XLogP2.80
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole?
The IUPAC name of 5-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole (CID 50954371) is 5-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole.
What is the SMILES notation for 5-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole?
The canonical SMILES for 5-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole is c1ccc(-n2nc(C3CC3)nc2-c2ccno2)cc1.
What is the InChIKey of 5-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole?
The InChIKey is DMMDBRXRKXEKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-2-4-11(5-3-1)18-14(12-8-9-15-19-12)16-13(17-18)10-6-7-10/h1-5,8-10H,6-7H2.
What are the key properties of 5-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole?
5-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole has a molecular weight of 252.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-1,2-oxazole is sourced from PubChem (CID 50954371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).