N-[4-[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide

C23H18N6O2 — CID 53095225

IUPACN-[4-[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
SMILESCCn1nnc2cc(-c3noc(-c4ccc(NC(=O)c5ccccc5)cc4)n3)ccc21
InChIInChI=1S/C23H18N6O2/c1-2-29-20-13-10-17(14-19(20)26-28-29)21-25-23(31-27-21)16-8-11-18(12-9-16)24-22(30)15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,24,30)
InChIKeyAQTRPULZCHQPLC-UHFFFAOYSA-N
MW410.44 g/mol
LogP4.42
Rot. Bonds5

About N-[4-[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide

N-[4-[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide (PubChem CID 53095225) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is N-[4-[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
PubChem CID53095225
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC NameN-[4-[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
SMILESCCn1nnc2cc(-c3noc(-c4ccc(NC(=O)c5ccccc5)cc4)n3)ccc21
InChIInChI=1S/C23H18N6O2/c1-2-29-20-13-10-17(14-19(20)26-28-29)21-25-23(31-27-21)16-8-11-18(12-9-16)24-22(30)15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,24,30)
InChIKeyAQTRPULZCHQPLC-UHFFFAOYSA-N
XLogP4.42
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53172597
N-[1-[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 53172631
N-[4-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 53065740
N-[[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 53095230
N-(4-acetylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46385460
N-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829226
3-(1-propylbenzotriazol-5-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 53095322
N-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 22110318
N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829238
5-(2-bromophenyl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole
CID 53095306
1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide
CID 26727322
5-(3,4-dimethoxyphenyl)-3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazole
CID 53172625

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The IUPAC name of N-[4-[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide (CID 53095225) is N-[4-[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide is CCn1nnc2cc(-c3noc(-c4ccc(NC(=O)c5ccccc5)cc4)n3)ccc21.
What is the InChIKey of N-[4-[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The InChIKey is AQTRPULZCHQPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2/c1-2-29-20-13-10-17(14-19(20)26-28-29)21-25-23(31-27-21)16-8-11-18(12-9-16)24-22(30)15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,24,30).
What are the key properties of N-[4-[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
N-[4-[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide has a molecular weight of 410.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 53095225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).