N-cyclopropyl-4-[[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide

C17H22N4O2 — CID 42894187

IUPACN-cyclopropyl-4-[[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide
SMILESCc1noc(C(C)N(C)Cc2ccc(C(=O)NC3CC3)cc2)n1
InChIInChI=1S/C17H22N4O2/c1-11(17-18-12(2)20-23-17)21(3)10-13-4-6-14(7-5-13)16(22)19-15-8-9-15/h4-7,11,15H,8-10H2,1-3H3,(H,19,22)
InChIKeyRWXCKMRATAIJFN-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.46
Rot. Bonds6

About N-cyclopropyl-4-[[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide

N-cyclopropyl-4-[[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide (PubChem CID 42894187) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-cyclopropyl-4-[[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide
PubChem CID42894187
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-cyclopropyl-4-[[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide
SMILESCc1noc(C(C)N(C)Cc2ccc(C(=O)NC3CC3)cc2)n1
InChIInChI=1S/C17H22N4O2/c1-11(17-18-12(2)20-23-17)21(3)10-13-4-6-14(7-5-13)16(22)19-15-8-9-15/h4-7,11,15H,8-10H2,1-3H3,(H,19,22)
InChIKeyRWXCKMRATAIJFN-UHFFFAOYSA-N
XLogP2.46
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide
CID 35192555
N-[1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide
CID 35192550
4-[(dimethylamino)methyl]-N-(4-hydroxycyclohexyl)benzamide
CID 43393996
N-cyclopropyl-4-[[cyclopropyl-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]benzamide
CID 33342953
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 87013360
N-(2-methoxyethyl)-2-[methyl-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide
CID 94000803
4-[[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide
CID 55511124
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
4-[[4-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 166193453
N-cyclopropyl-4-[[cyclopropyl-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]amino]methyl]benzamide
CID 71852307
N-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide
CID 86781611
(1R)-N-(cyclohexylmethyl)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 95154008

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide (CID 42894187) is N-cyclopropyl-4-[[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide is Cc1noc(C(C)N(C)Cc2ccc(C(=O)NC3CC3)cc2)n1.
What is the InChIKey of N-cyclopropyl-4-[[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide?
The InChIKey is RWXCKMRATAIJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11(17-18-12(2)20-23-17)21(3)10-13-4-6-14(7-5-13)16(22)19-15-8-9-15/h4-7,11,15H,8-10H2,1-3H3,(H,19,22).
What are the key properties of N-cyclopropyl-4-[[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide has a molecular weight of 314.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide is sourced from PubChem (CID 42894187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).