3-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(2-hydroxyethyl)benzamide

C16H22N4O3 — CID 111601563

IUPAC3-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(2-hydroxyethyl)benzamide
SMILESCCCCc1nc(CNc2cccc(C(=O)NCCO)c2)no1
InChIInChI=1S/C16H22N4O3/c1-2-3-7-15-19-14(20-23-15)11-18-13-6-4-5-12(10-13)16(22)17-8-9-21/h4-6,10,18,21H,2-3,7-9,11H2,1H3,(H,17,22)
InChIKeyKFEXULDDIQEAMR-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.75
Rot. Bonds9

About 3-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(2-hydroxyethyl)benzamide

3-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(2-hydroxyethyl)benzamide (PubChem CID 111601563) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(2-hydroxyethyl)benzamide
PubChem CID111601563
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name3-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(2-hydroxyethyl)benzamide
SMILESCCCCc1nc(CNc2cccc(C(=O)NCCO)c2)no1
InChIInChI=1S/C16H22N4O3/c1-2-3-7-15-19-14(20-23-15)11-18-13-6-4-5-12(10-13)16(22)17-8-9-21/h4-6,10,18,21H,2-3,7-9,11H2,1H3,(H,17,22)
InChIKeyKFEXULDDIQEAMR-UHFFFAOYSA-N
XLogP1.75
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 111461720
3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 111778066
3-(ethylamino)-N-propylbenzamide
CID 43676038
3-[(2-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 111778065
4-butoxy-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 5041101
3-[(4-methylphenyl)methylamino]-N-propylbenzamide
CID 43675970
N-[5-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-2,4-difluorophenyl]acetamide
CID 71997967
N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-methylbenzamide
CID 91917634
3-[(4-fluorophenyl)methylamino]-N-propylbenzamide
CID 43675966
3-(3-phenylpropylamino)-N-propylbenzamide
CID 78885469
N-(2-hydroxyethyl)-3-[(4-nitrophenyl)methylamino]benzamide
CID 111601554
N-butyl-3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 54834115

Frequently Asked Questions

What is the IUPAC name of 3-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(2-hydroxyethyl)benzamide (CID 111601563) is 3-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(2-hydroxyethyl)benzamide is CCCCc1nc(CNc2cccc(C(=O)NCCO)c2)no1.
What is the InChIKey of 3-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(2-hydroxyethyl)benzamide?
The InChIKey is KFEXULDDIQEAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-2-3-7-15-19-14(20-23-15)11-18-13-6-4-5-12(10-13)16(22)17-8-9-21/h4-6,10,18,21H,2-3,7-9,11H2,1H3,(H,17,22).
What are the key properties of 3-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(2-hydroxyethyl)benzamide?
3-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(2-hydroxyethyl)benzamide has a molecular weight of 318.38 g/mol, XLogP of 1.75, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 111601563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).