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

C18H16N6O2 — CID 53172597

IUPACN-[[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCCn1nnc2ccc(-c3noc(CNC(=O)c4ccccc4)n3)cc21
InChIInChI=1S/C18H16N6O2/c1-2-24-15-10-13(8-9-14(15)21-23-24)17-20-16(26-22-17)11-19-18(25)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,19,25)
InChIKeyROWUWZSCDNWIIP-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.43
Rot. Bonds5

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

N-[[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 53172597) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID53172597
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC NameN-[[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCCn1nnc2ccc(-c3noc(CNC(=O)c4ccccc4)n3)cc21
InChIInChI=1S/C18H16N6O2/c1-2-24-15-10-13(8-9-14(15)21-23-24)17-20-16(26-22-17)11-19-18(25)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,19,25)
InChIKeyROWUWZSCDNWIIP-UHFFFAOYSA-N
XLogP2.43
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 53172631
N-[4-[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 53095225
N-[[3-(2-ethyl-1,3-benzoxazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53141079
N-[[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 53095230
N-[[3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53011774
5-(3,4-dimethoxyphenyl)-3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazole
CID 53172625
N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 91635012
3-[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 53172620
N-[[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53112540
N-[[3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
CID 53172668
N-[[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53065853
N-[(1R)-1-[3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 95102290

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of N-[[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 53172597) is N-[[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for N-[[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for N-[[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is CCn1nnc2ccc(-c3noc(CNC(=O)c4ccccc4)n3)cc21.
What is the InChIKey of N-[[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is ROWUWZSCDNWIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-2-24-15-10-13(8-9-14(15)21-23-24)17-20-16(26-22-17)11-19-18(25)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,19,25).
What are the key properties of N-[[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
N-[[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 348.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 53172597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).