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

C20H19N3O2 — CID 25093469

IUPACN-(cyclopropylmethyl)-4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1ccc(-c2nnco2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C20H19N3O2/c1-13-2-5-17(20-23-22-12-25-20)10-18(13)15-6-8-16(9-7-15)19(24)21-11-14-3-4-14/h2,5-10,12,14H,3-4,11H2,1H3,(H,21,24)
InChIKeyCQVKCSUEBQUYPS-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.85
Rot. Bonds5

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

N-(cyclopropylmethyl)-4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 25093469) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID25093469
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(cyclopropylmethyl)-4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1ccc(-c2nnco2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C20H19N3O2/c1-13-2-5-17(20-23-22-12-25-20)10-18(13)15-6-8-16(9-7-15)19(24)21-11-14-3-4-14/h2,5-10,12,14H,3-4,11H2,1H3,(H,21,24)
InChIKeyCQVKCSUEBQUYPS-UHFFFAOYSA-N
XLogP3.85
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide
CID 10089048
N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide
CID 21078798
N-[(4-chlorophenyl)methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10295475
N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 25093465
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-{[3-(morpholin-4-ylmethyl)phenyl]methyl}benzamide
CID 25093466
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-{4-[3-(1,3,4-oxadiazol-2-yl)phenyl]phenyl}-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895841
N-(3-hydroxypropyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 11484931
N-(cyclopropylmethyl)-4-[2-methyl-5-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078793
N-(cyclopropylmethyl)-4-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]benzamide
CID 21078794
2-Methyl-5-{4-methyl-3-[4-(piperidin-1-ylcarbonyl)phenyl]phenyl}-1,3,4-oxadiazole
CID 25093468
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 25093467
3-(5-biphenyl-4-yl-1,3,4-oxadiazol-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 23723997

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 25093469) is N-(cyclopropylmethyl)-4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide is Cc1ccc(-c2nnco2)cc1-c1ccc(C(=O)NCC2CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is CQVKCSUEBQUYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-2-5-17(20-23-22-12-25-20)10-18(13)15-6-8-16(9-7-15)19(24)21-11-14-3-4-14/h2,5-10,12,14H,3-4,11H2,1H3,(H,21,24).
What are the key properties of N-(cyclopropylmethyl)-4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
N-(cyclopropylmethyl)-4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 333.39 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 25093469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).