2,4-diphenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole

C18H16N4O — CID 155672462

IUPAC2,4-diphenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole
SMILESc1ccc(C2=NC(Cn3cncn3)(c3ccccc3)CO2)cc1
InChIInChI=1S/C18H16N4O/c1-3-7-15(8-4-1)17-21-18(12-23-17,11-22-14-19-13-20-22)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2
InChIKeyNVHGSCJXDRTMBB-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.65
Rot. Bonds4

About 2,4-diphenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole

2,4-diphenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole (PubChem CID 155672462) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 2,4-diphenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole.

Molecular Properties

Compound Name2,4-diphenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole
PubChem CID155672462
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name2,4-diphenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole
SMILESc1ccc(C2=NC(Cn3cncn3)(c3ccccc3)CO2)cc1
InChIInChI=1S/C18H16N4O/c1-3-7-15(8-4-1)17-21-18(12-23-17,11-22-14-19-13-20-22)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2
InChIKeyNVHGSCJXDRTMBB-UHFFFAOYSA-N
XLogP2.65
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole?
The IUPAC name of 2,4-diphenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole (CID 155672462) is 2,4-diphenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole.
What is the SMILES notation for 2,4-diphenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole?
The canonical SMILES for 2,4-diphenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole is c1ccc(C2=NC(Cn3cncn3)(c3ccccc3)CO2)cc1.
What is the InChIKey of 2,4-diphenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole?
The InChIKey is NVHGSCJXDRTMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-3-7-15(8-4-1)17-21-18(12-23-17,11-22-14-19-13-20-22)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2.
What are the key properties of 2,4-diphenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole?
2,4-diphenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole has a molecular weight of 304.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole is sourced from PubChem (CID 155672462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).