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

C24H26N4O2 — CID 10476224

IUPACN-cyclopropyl-4-methyl-3-[4-[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc(-c2nnc(CN3CCCC3)o2)cc1
InChIInChI=1S/C24H26N4O2/c1-16-4-5-19(23(29)25-20-10-11-20)14-21(16)17-6-8-18(9-7-17)24-27-26-22(30-24)15-28-12-2-3-13-28/h4-9,14,20H,2-3,10-13,15H2,1H3,(H,25,29)
InChIKeyVBKVGASFYIAAOK-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.20
Rot. Bonds6

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

N-cyclopropyl-4-methyl-3-[4-[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 10476224) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[4-[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[4-[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
PubChem CID10476224
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-cyclopropyl-4-methyl-3-[4-[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc(-c2nnc(CN3CCCC3)o2)cc1
InChIInChI=1S/C24H26N4O2/c1-16-4-5-19(23(29)25-20-10-11-20)14-21(16)17-6-8-18(9-7-17)24-27-26-22(30-24)15-28-12-2-3-13-28/h4-9,14,20H,2-3,10-13,15H2,1H3,(H,25,29)
InChIKeyVBKVGASFYIAAOK-UHFFFAOYSA-N
XLogP4.20
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide
CID 16580752
N-cyclopropyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078792
N-cyclopropyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693154
N-cycloheptyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 26002230
N-cyclopropyl-3-[4-[3-(2-hydroxyethoxy)cyclopentanecarbonyl]phenyl]-4-methylbenzamide
CID 156904452
N-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide
CID 69315179
N-cyclopropyl-3-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-4-methylbenzamide
CID 156904443
N-[1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide
CID 33106508
3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane
CID 142826121
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24607379
N-cyclopropyl-4-methyl-3-[2-[(1-methylpyrrolidin-2-yl)methylamino]quinazolin-6-yl]benzamide
CID 69461402
1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide
CID 46405367

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[4-[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[4-[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 10476224) is N-cyclopropyl-4-methyl-3-[4-[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[4-[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[4-[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(-c2nnc(CN3CCCC3)o2)cc1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[4-[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The InChIKey is VBKVGASFYIAAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16-4-5-19(23(29)25-20-10-11-20)14-21(16)17-6-8-18(9-7-17)24-27-26-22(30-24)15-28-12-2-3-13-28/h4-9,14,20H,2-3,10-13,15H2,1H3,(H,25,29).
What are the key properties of N-cyclopropyl-4-methyl-3-[4-[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
N-cyclopropyl-4-methyl-3-[4-[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide has a molecular weight of 402.50 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[4-[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 10476224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).