3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylbenzamide

C21H22N4O2 — CID 120852599

IUPAC3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(-c2nc(C3(N)CCCC3)no2)c1)c1ccccc1
InChIInChI=1S/C21H22N4O2/c1-25(17-10-3-2-4-11-17)19(26)16-9-7-8-15(14-16)18-23-20(24-27-18)21(22)12-5-6-13-21/h2-4,7-11,14H,5-6,12-13,22H2,1H3
InChIKeyNBSODHDSLMQDFR-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.74
Rot. Bonds4

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

3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylbenzamide (PubChem CID 120852599) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylbenzamide
PubChem CID120852599
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(-c2nc(C3(N)CCCC3)no2)c1)c1ccccc1
InChIInChI=1S/C21H22N4O2/c1-25(17-10-3-2-4-11-17)19(26)16-9-7-8-15(14-16)18-23-20(24-27-18)21(22)12-5-6-13-21/h2-4,7-11,14H,5-6,12-13,22H2,1H3
InChIKeyNBSODHDSLMQDFR-UHFFFAOYSA-N
XLogP3.74
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-N-methylbenzamide
CID 120862262
1-[5-[3-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853378
1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354336
N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]benzamide;hydrochloride
CID 120863605
1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea
CID 120856143
1-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850426
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
1-[5-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857385
4-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-N,N-dimethylaniline;hydrochloride
CID 120853767
3-[(1-aminocyclohexanecarbonyl)amino]-N-methyl-N-phenylbenzamide
CID 119284412
1-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352509
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylaniline
CID 120850900

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylbenzamide?
The IUPAC name of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylbenzamide (CID 120852599) is 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylbenzamide is CN(C(=O)c1cccc(-c2nc(C3(N)CCCC3)no2)c1)c1ccccc1.
What is the InChIKey of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylbenzamide?
The InChIKey is NBSODHDSLMQDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-25(17-10-3-2-4-11-17)19(26)16-9-7-8-15(14-16)18-23-20(24-27-18)21(22)12-5-6-13-21/h2-4,7-11,14H,5-6,12-13,22H2,1H3.
What are the key properties of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylbenzamide?
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylbenzamide has a molecular weight of 362.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 120852599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).