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

C16H22N4O3 — CID 111461720

IUPACN-(2-hydroxyethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
SMILESCC(C)Cc1noc(CNc2cccc(C(=O)NCCO)c2)n1
InChIInChI=1S/C16H22N4O3/c1-11(2)8-14-19-15(23-20-14)10-18-13-5-3-4-12(9-13)16(22)17-6-7-21/h3-5,9,11,18,21H,6-8,10H2,1-2H3,(H,17,22)
InChIKeyIDHPYSNIBSUBPL-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.60
Rot. Bonds8

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

N-(2-hydroxyethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide (PubChem CID 111461720) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
PubChem CID111461720
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-(2-hydroxyethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
SMILESCC(C)Cc1noc(CNc2cccc(C(=O)NCCO)c2)n1
InChIInChI=1S/C16H22N4O3/c1-11(2)8-14-19-15(23-20-14)10-18-13-5-3-4-12(9-13)16(22)17-6-7-21/h3-5,9,11,18,21H,6-8,10H2,1-2H3,(H,17,22)
InChIKeyIDHPYSNIBSUBPL-UHFFFAOYSA-N
XLogP1.60
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 111601563
N-(1-hydroxybutan-2-yl)-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 111022244
3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 111778066
2-[3-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]carbamoyl]anilino]acetic acid
CID 46993302
3-[(2-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 111778065
N-cyclohexyl-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 55918894
4-chloro-N-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 47064204
1-(furan-2-ylmethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 71876869
N-(2-hydroxyethyl)-3-[(4-nitrophenyl)methylamino]benzamide
CID 111601554
3-chloro-4-ethoxy-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 154834758
N-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide
CID 17057983
1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]ethanone
CID 47063647

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide (CID 111461720) is N-(2-hydroxyethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide is CC(C)Cc1noc(CNc2cccc(C(=O)NCCO)c2)n1.
What is the InChIKey of N-(2-hydroxyethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The InChIKey is IDHPYSNIBSUBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11(2)8-14-19-15(23-20-14)10-18-13-5-3-4-12(9-13)16(22)17-6-7-21/h3-5,9,11,18,21H,6-8,10H2,1-2H3,(H,17,22).
What are the key properties of N-(2-hydroxyethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
N-(2-hydroxyethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide has a molecular weight of 318.38 g/mol, XLogP of 1.60, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide is sourced from PubChem (CID 111461720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).