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

C19H24N4O3 — CID 46984239

IUPACN-cyclopentyl-N'-methyl-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanediamide
SMILESCN(Cc1noc(-c2ccccc2)n1)C(=O)CCC(=O)NC1CCCC1
InChIInChI=1S/C19H24N4O3/c1-23(18(25)12-11-17(24)20-15-9-5-6-10-15)13-16-21-19(26-22-16)14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,20,24)
InChIKeyQBUVPASJCHBUNW-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.53
Rot. Bonds7

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

N-cyclopentyl-N'-methyl-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanediamide (PubChem CID 46984239) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-cyclopentyl-N'-methyl-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanediamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-methyl-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanediamide
PubChem CID46984239
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-cyclopentyl-N'-methyl-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanediamide
SMILESCN(Cc1noc(-c2ccccc2)n1)C(=O)CCC(=O)NC1CCCC1
InChIInChI=1S/C19H24N4O3/c1-23(18(25)12-11-17(24)20-15-9-5-6-10-15)13-16-21-19(26-22-16)14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,20,24)
InChIKeyQBUVPASJCHBUNW-UHFFFAOYSA-N
XLogP2.53
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]acetamide
CID 133482547
N'-benzyl-N-cyclopentyl-N'-methylpropanediamide
CID 108942140
N-cyclohexyl-2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266666
N-cyclooctyl-N'-[(1-ethylimidazol-2-yl)methyl]-N'-methylbutanediamide
CID 91774284
N-cyclohexyl-2-[2-methoxy-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 46267182
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N'-cyclopentylbutanediamide
CID 46999941
N-cyclohexyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110647492
N-cycloheptyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110649225
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-phenylimidazol-1-yl)acetamide
CID 72844296
N-cyclopentyl-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42346090
2-[tert-butyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
CID 79263003
2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 62819926

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-methyl-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanediamide?
The IUPAC name of N-cyclopentyl-N'-methyl-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanediamide (CID 46984239) is N-cyclopentyl-N'-methyl-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanediamide.
What is the SMILES notation for N-cyclopentyl-N'-methyl-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanediamide?
The canonical SMILES for N-cyclopentyl-N'-methyl-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanediamide is CN(Cc1noc(-c2ccccc2)n1)C(=O)CCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-N'-methyl-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanediamide?
The InChIKey is QBUVPASJCHBUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-23(18(25)12-11-17(24)20-15-9-5-6-10-15)13-16-21-19(26-22-16)14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,20,24).
What are the key properties of N-cyclopentyl-N'-methyl-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanediamide?
N-cyclopentyl-N'-methyl-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanediamide has a molecular weight of 356.43 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-methyl-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanediamide is sourced from PubChem (CID 46984239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).