N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylbenzamide

C18H17N3O2 — CID 110320276

IUPACN-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylbenzamide
SMILESCc1nnc(CCNC(=O)c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C18H17N3O2/c1-13-20-21-17(23-13)11-12-19-18(22)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyAHTIERGZPZKDMB-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.02
Rot. Bonds5

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

N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylbenzamide (PubChem CID 110320276) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylbenzamide
PubChem CID110320276
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylbenzamide
SMILESCc1nnc(CCNC(=O)c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C18H17N3O2/c1-13-20-21-17(23-13)11-12-19-18(22)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyAHTIERGZPZKDMB-UHFFFAOYSA-N
XLogP3.02
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylsulfamoyl)-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110320250
N-[2-(N-(3-methylphenyl)anilino)ethyl]-5-[2-[(4-phenylbenzoyl)amino]ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 11656813
2-methoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110320225
methyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 110320279
4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357165
3-phenyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110320848
4-methyl-N-[3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-3-oxopropyl]benzamide
CID 90647350
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
CID 110320204
N-butyl-4-phenylbenzamide
CID 3637649
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-phenylbenzamide
CID 110660378
N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605172
4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110717254

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylbenzamide (CID 110320276) is N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylbenzamide is Cc1nnc(CCNC(=O)c2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylbenzamide?
The InChIKey is AHTIERGZPZKDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-20-21-17(23-13)11-12-19-18(22)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylbenzamide?
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylbenzamide has a molecular weight of 307.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylbenzamide is sourced from PubChem (CID 110320276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).