N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentylbenzamide

C23H27N3O2 — CID 21078779

IUPACN-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentylbenzamide
SMILESCCCCCN(C)C(=O)c1ccc(-c2cc(-c3nnc(C)o3)ccc2C)cc1
InChIInChI=1S/C23H27N3O2/c1-5-6-7-14-26(4)23(27)19-12-10-18(11-13-19)21-15-20(9-8-16(21)2)22-25-24-17(3)28-22/h8-13,15H,5-7,14H2,1-4H3
InChIKeyCPJSLDPSWUJWCG-UHFFFAOYSA-N
MW377.49 g/mol
LogP5.28
Rot. Bonds7

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

N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentylbenzamide (PubChem CID 21078779) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentylbenzamide.

Molecular Properties

Compound NameN-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentylbenzamide
PubChem CID21078779
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentylbenzamide
SMILESCCCCCN(C)C(=O)c1ccc(-c2cc(-c3nnc(C)o3)ccc2C)cc1
InChIInChI=1S/C23H27N3O2/c1-5-6-7-14-26(4)23(27)19-12-10-18(11-13-19)21-15-20(9-8-16(21)2)22-25-24-17(3)28-22/h8-13,15H,5-7,14H2,1-4H3
InChIKeyCPJSLDPSWUJWCG-UHFFFAOYSA-N
XLogP5.28
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl chloride;oxalyl dichloride
CID 86597648
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentan-2-ylbenzamide
CID 21078775
N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078798
N-methyl-4-[[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]methyl]benzamide
CID 10225261
N-cyclopropyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078792
N-[2-(4-methoxyphenyl)ethyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10137354
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 91150773
4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoic acid
CID 69320185
N-(1-cyclopropylethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078781
N-ethyl-N-methyl-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134063386
N,N-diethyl-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]benzamide
CID 46397278
4-iodo-N-methyl-N-pentylbenzamide
CID 61400602

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentylbenzamide?
The IUPAC name of N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentylbenzamide (CID 21078779) is N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentylbenzamide.
What is the SMILES notation for N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentylbenzamide?
The canonical SMILES for N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentylbenzamide is CCCCCN(C)C(=O)c1ccc(-c2cc(-c3nnc(C)o3)ccc2C)cc1.
What is the InChIKey of N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentylbenzamide?
The InChIKey is CPJSLDPSWUJWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-5-6-7-14-26(4)23(27)19-12-10-18(11-13-19)21-15-20(9-8-16(21)2)22-25-24-17(3)28-22/h8-13,15H,5-7,14H2,1-4H3.
What are the key properties of N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentylbenzamide?
N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentylbenzamide has a molecular weight of 377.49 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentylbenzamide is sourced from PubChem (CID 21078779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).