N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide

C18H17N3O2 — CID 50747779

IUPACN-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide
SMILESCCc1noc(-c2ccc(NC(=O)c3ccccc3C)cc2)n1
InChIInChI=1S/C18H17N3O2/c1-3-16-20-18(23-21-16)13-8-10-14(11-9-13)19-17(22)15-7-5-4-6-12(15)2/h4-11H,3H2,1-2H3,(H,19,22)
InChIKeyRLFANZKOEVLRJY-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.86
Rot. Bonds4

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

N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide (PubChem CID 50747779) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide
PubChem CID50747779
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide
SMILESCCc1noc(-c2ccc(NC(=O)c3ccccc3C)cc2)n1
InChIInChI=1S/C18H17N3O2/c1-3-16-20-18(23-21-16)13-8-10-14(11-9-13)19-17(22)15-7-5-4-6-12(15)2/h4-11H,3H2,1-2H3,(H,19,22)
InChIKeyRLFANZKOEVLRJY-UHFFFAOYSA-N
XLogP3.86
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide
CID 46266995
N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-fluorobenzamide
CID 50747838
2-ethoxy-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747846
2-methyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747772
N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]pentanamide
CID 50747831
2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747821
2-methoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 110643559
(3S)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93064680
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
2-methyl-N-(4-sulfanylphenyl)benzamide
CID 143459352
N-[4-(ethylcarbamoyl)phenyl]-2-methylbenzamide
CID 17234252
N-[4-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 86885476

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide (CID 50747779) is N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide is CCc1noc(-c2ccc(NC(=O)c3ccccc3C)cc2)n1.
What is the InChIKey of N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide?
The InChIKey is RLFANZKOEVLRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-3-16-20-18(23-21-16)13-8-10-14(11-9-13)19-17(22)15-7-5-4-6-12(15)2/h4-11H,3H2,1-2H3,(H,19,22).
What are the key properties of N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide?
N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide has a molecular weight of 307.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 50747779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).