N-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopentyl]-4-(4-methylphenyl)benzamide

C23H25N3O2 — CID 154653036

IUPACN-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopentyl]-4-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)N(C)[C@@H]3CC[C@H](c4nnc(C)o4)C3)cc2)cc1
InChIInChI=1S/C23H25N3O2/c1-15-4-6-17(7-5-15)18-8-10-19(11-9-18)23(27)26(3)21-13-12-20(14-21)22-25-24-16(2)28-22/h4-11,20-21H,12-14H2,1-3H3/t20-,21+/m0/s1
InChIKeyPXNHFPBZTWJIFZ-LEWJYISDSA-N
MW375.47 g/mol
LogP4.76
Rot. Bonds4

About N-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopentyl]-4-(4-methylphenyl)benzamide

N-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopentyl]-4-(4-methylphenyl)benzamide (PubChem CID 154653036) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopentyl]-4-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopentyl]-4-(4-methylphenyl)benzamide
PubChem CID154653036
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopentyl]-4-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)N(C)[C@@H]3CC[C@H](c4nnc(C)o4)C3)cc2)cc1
InChIInChI=1S/C23H25N3O2/c1-15-4-6-17(7-5-15)18-8-10-19(11-9-18)23(27)26(3)21-13-12-20(14-21)22-25-24-16(2)28-22/h4-11,20-21H,12-14H2,1-3H3/t20-,21+/m0/s1
InChIKeyPXNHFPBZTWJIFZ-LEWJYISDSA-N
XLogP4.76
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-(4-methylphenyl)benzamide
CID 123962446
tert-butyl N-methyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamate
CID 166985995
N-[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methylbenzamide
CID 134700607
N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide
CID 7430109
N-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-5-yl]-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]benzamide
CID 137001062
N-cyclopropyl-4-hydroxy-N-methylbenzamide
CID 43265196
N-cyclopropyl-N-methyl-4-(1,3-oxazol-5-yl)benzamide
CID 47413926
N-[3-(ethylcarbamoyl)cyclopentyl]-N-methyl-4-pyridin-4-ylbenzamide
CID 123993453
N-cyclopentyl-4-(2,4-dimethylphenyl)-N-methylbenzamide
CID 129191408
4-(1,3-benzoxazol-2-yl)-N-[3-(dimethylcarbamoyl)cyclopentyl]-N-methylbenzamide
CID 123990017
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24679501
N-cyclopentyl-N-methyl-4-phenylbenzamide;4-cyclopropyl-2H-triazole
CID 154653071

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopentyl]-4-(4-methylphenyl)benzamide?
The IUPAC name of N-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopentyl]-4-(4-methylphenyl)benzamide (CID 154653036) is N-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopentyl]-4-(4-methylphenyl)benzamide.
What is the SMILES notation for N-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopentyl]-4-(4-methylphenyl)benzamide?
The canonical SMILES for N-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopentyl]-4-(4-methylphenyl)benzamide is Cc1ccc(-c2ccc(C(=O)N(C)[C@@H]3CC[C@H](c4nnc(C)o4)C3)cc2)cc1.
What is the InChIKey of N-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopentyl]-4-(4-methylphenyl)benzamide?
The InChIKey is PXNHFPBZTWJIFZ-LEWJYISDSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15-4-6-17(7-5-15)18-8-10-19(11-9-18)23(27)26(3)21-13-12-20(14-21)22-25-24-16(2)28-22/h4-11,20-21H,12-14H2,1-3H3/t20-,21+/m0/s1.
What are the key properties of N-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopentyl]-4-(4-methylphenyl)benzamide?
N-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopentyl]-4-(4-methylphenyl)benzamide has a molecular weight of 375.47 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopentyl]-4-(4-methylphenyl)benzamide is sourced from PubChem (CID 154653036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).