benzotriazol-1-yl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone

C21H13N5O2 — CID 1287646

IUPACbenzotriazol-1-yl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2nnc(-c3ccccc3)o2)cc1)n1nnc2ccccc21
InChIInChI=1S/C21H13N5O2/c27-21(26-18-9-5-4-8-17(18)22-25-26)16-12-10-15(11-13-16)20-24-23-19(28-20)14-6-2-1-3-7-14/h1-13H
InChIKeyYEPNOWPSDXDQIS-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.84
Rot. Bonds3

About benzotriazol-1-yl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone

benzotriazol-1-yl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone (PubChem CID 1287646) has the molecular formula C21H13N5O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is benzotriazol-1-yl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
PubChem CID1287646
Molecular FormulaC21H13N5O2
Molecular Weight367.37 g/mol
Exact Mass367.11
IUPAC Namebenzotriazol-1-yl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2nnc(-c3ccccc3)o2)cc1)n1nnc2ccccc21
InChIInChI=1S/C21H13N5O2/c27-21(26-18-9-5-4-8-17(18)22-25-26)16-12-10-15(11-13-16)20-24-23-19(28-20)14-6-2-1-3-7-14/h1-13H
InChIKeyYEPNOWPSDXDQIS-UHFFFAOYSA-N
XLogP3.84
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone?
The IUPAC name of benzotriazol-1-yl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone (CID 1287646) is benzotriazol-1-yl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone.
What is the SMILES notation for benzotriazol-1-yl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone?
The canonical SMILES for benzotriazol-1-yl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone is O=C(c1ccc(-c2nnc(-c3ccccc3)o2)cc1)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone?
The InChIKey is YEPNOWPSDXDQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N5O2/c27-21(26-18-9-5-4-8-17(18)22-25-26)16-12-10-15(11-13-16)20-24-23-19(28-20)14-6-2-1-3-7-14/h1-13H.
What are the key properties of benzotriazol-1-yl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone?
benzotriazol-1-yl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone has a molecular weight of 367.37 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone is sourced from PubChem (CID 1287646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).