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

C22H23N3O2 — CID 21078781

IUPACN-(1-cyclopropylethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NC(C)C4CC4)cc3)c2)o1
InChIInChI=1S/C22H23N3O2/c1-13-4-5-19(22-25-24-15(3)27-22)12-20(13)17-8-10-18(11-9-17)21(26)23-14(2)16-6-7-16/h4-5,8-12,14,16H,6-7H2,1-3H3,(H,23,26)
InChIKeyKNRQLIIQVVMAJV-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.55
Rot. Bonds5

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

N-(1-cyclopropylethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 21078781) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID21078781
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(1-cyclopropylethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NC(C)C4CC4)cc3)c2)o1
InChIInChI=1S/C22H23N3O2/c1-13-4-5-19(22-25-24-15(3)27-22)12-20(13)17-8-10-18(11-9-17)21(26)23-14(2)16-6-7-16/h4-5,8-12,14,16H,6-7H2,1-3H3,(H,23,26)
InChIKeyKNRQLIIQVVMAJV-UHFFFAOYSA-N
XLogP4.55
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078792
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
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl chloride;oxalyl dichloride
CID 86597648
N-(4-methoxy-3-methylphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10273164
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-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693154
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 91150773
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-[2-(4-sulfamoylphenyl)phenyl]benzamide
CID 10118990
N-(2,5-dimethylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693237
3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide
CID 43533090

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of N-(1-cyclopropylethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 21078781) is N-(1-cyclopropylethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-(1-cyclopropylethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NC(C)C4CC4)cc3)c2)o1.
What is the InChIKey of N-(1-cyclopropylethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is KNRQLIIQVVMAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-13-4-5-19(22-25-24-15(3)27-22)12-20(13)17-8-10-18(11-9-17)21(26)23-14(2)16-6-7-16/h4-5,8-12,14,16H,6-7H2,1-3H3,(H,23,26).
What are the key properties of N-(1-cyclopropylethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
N-(1-cyclopropylethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 361.45 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 21078781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).