N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dimethylbenzamide

C17H21N3O2 — CID 50755147

IUPACN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCc2noc(C3CCCC3)n2)c1C
InChIInChI=1S/C17H21N3O2/c1-11-6-5-9-14(12(11)2)16(21)18-10-15-19-17(22-20-15)13-7-3-4-8-13/h5-6,9,13H,3-4,7-8,10H2,1-2H3,(H,18,21)
InChIKeyBVCQQYPPDCMSPX-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.27
Rot. Bonds4

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

N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dimethylbenzamide (PubChem CID 50755147) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dimethylbenzamide
PubChem CID50755147
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCc2noc(C3CCCC3)n2)c1C
InChIInChI=1S/C17H21N3O2/c1-11-6-5-9-14(12(11)2)16(21)18-10-15-19-17(22-20-15)13-7-3-4-8-13/h5-6,9,13H,3-4,7-8,10H2,1-2H3,(H,18,21)
InChIKeyBVCQQYPPDCMSPX-UHFFFAOYSA-N
XLogP3.27
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 50754933
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethyl)benzamide
CID 50755143
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1,7-dimethylindole-2-carboxamide
CID 72901674
N-[[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-1-carboxamide
CID 166545161
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 131949110
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 122557631
3-cyano-N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxybenzamide
CID 50755095
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-hydroxy-3-(2-methylphenoxy)propanamide
CID 91785855
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-propylpyrimidine-5-carboxamide
CID 122559370
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62342162
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 75394998
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoropyridine-3-carboxamide
CID 131918823

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dimethylbenzamide?
The IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dimethylbenzamide (CID 50755147) is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dimethylbenzamide is Cc1cccc(C(=O)NCc2noc(C3CCCC3)n2)c1C.
What is the InChIKey of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dimethylbenzamide?
The InChIKey is BVCQQYPPDCMSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-6-5-9-14(12(11)2)16(21)18-10-15-19-17(22-20-15)13-7-3-4-8-13/h5-6,9,13H,3-4,7-8,10H2,1-2H3,(H,18,21).
What are the key properties of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dimethylbenzamide?
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dimethylbenzamide has a molecular weight of 299.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dimethylbenzamide is sourced from PubChem (CID 50755147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).