N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N'-cyclopentylbutanediamide

C19H24N4O3 — CID 46999941

IUPACN-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N'-cyclopentylbutanediamide
SMILESO=C(CCC(=O)NC1CCCC1)NCc1noc(Cc2ccccc2)n1
InChIInChI=1S/C19H24N4O3/c24-17(10-11-18(25)21-15-8-4-5-9-15)20-13-16-22-19(26-23-16)12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,20,24)(H,21,25)
InChIKeyMGAHSTPZGULYKX-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.12
Rot. Bonds8

About N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N'-cyclopentylbutanediamide

N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N'-cyclopentylbutanediamide (PubChem CID 46999941) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N'-cyclopentylbutanediamide.

Molecular Properties

Compound NameN-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N'-cyclopentylbutanediamide
PubChem CID46999941
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N'-cyclopentylbutanediamide
SMILESO=C(CCC(=O)NC1CCCC1)NCc1noc(Cc2ccccc2)n1
InChIInChI=1S/C19H24N4O3/c24-17(10-11-18(25)21-15-8-4-5-9-15)20-13-16-22-19(26-23-16)12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,20,24)(H,21,25)
InChIKeyMGAHSTPZGULYKX-UHFFFAOYSA-N
XLogP2.12
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,2S)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 92903083
N-benzyl-N'-cyclohexylpropanediamide
CID 108942512
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide
CID 47437849
(3R)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 97189926
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide
CID 98682462
N-benzyl-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide
CID 2959299
N'-cyclopentyl-N-[(2-phenylphenyl)methyl]butanediamide
CID 46986234
N-cyclopentyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42556889
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]oxan-3-amine
CID 63363355
N-cyclopentyl-N'-methyl-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanediamide
CID 46984239
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 70750335

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N'-cyclopentylbutanediamide?
The IUPAC name of N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N'-cyclopentylbutanediamide (CID 46999941) is N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N'-cyclopentylbutanediamide.
What is the SMILES notation for N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N'-cyclopentylbutanediamide?
The canonical SMILES for N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N'-cyclopentylbutanediamide is O=C(CCC(=O)NC1CCCC1)NCc1noc(Cc2ccccc2)n1.
What is the InChIKey of N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N'-cyclopentylbutanediamide?
The InChIKey is MGAHSTPZGULYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-17(10-11-18(25)21-15-8-4-5-9-15)20-13-16-22-19(26-23-16)12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,20,24)(H,21,25).
What are the key properties of N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N'-cyclopentylbutanediamide?
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N'-cyclopentylbutanediamide has a molecular weight of 356.43 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N'-cyclopentylbutanediamide is sourced from PubChem (CID 46999941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).