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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Related Compounds

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benzotriazol-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 5132815
benzotriazol-1-yl-(5-methylfuran-2-yl)methanone
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benzotriazol-1-yl-[4-(2-methylpropoxy)phenyl]methanone
CID 4937009
(3,5-dimethylpiperidin-1-yl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 5322328
2-(benzotriazol-1-yl)prop-2-enoic acid
CID 174497195
N-[2-(benzotriazole-1-carbonyl)phenyl]acetamide
CID 3356312
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
benzotriazol-1-yl-[4-[4-[8-(1,2,4-triazol-1-yl)octoxy]phenyl]phenyl]methanone
CID 56988742
3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 174723007

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).