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

C21H30N4O2 — CID 55918894

IUPACN-cyclohexyl-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NCc1nc(CC(C)C)no1
InChIInChI=1S/C21H30N4O2/c1-14(2)11-19-24-20(27-25-19)13-22-18-10-9-16(12-15(18)3)21(26)23-17-7-5-4-6-8-17/h9-10,12,14,17,22H,4-8,11,13H2,1-3H3,(H,23,26)
InChIKeyFCKAMYCOFUWUGZ-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.25
Rot. Bonds7

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

N-cyclohexyl-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide (PubChem CID 55918894) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
PubChem CID55918894
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-cyclohexyl-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NCc1nc(CC(C)C)no1
InChIInChI=1S/C21H30N4O2/c1-14(2)11-19-24-20(27-25-19)13-22-18-10-9-16(12-15(18)3)21(26)23-17-7-5-4-6-8-17/h9-10,12,14,17,22H,4-8,11,13H2,1-3H3,(H,23,26)
InChIKeyFCKAMYCOFUWUGZ-UHFFFAOYSA-N
XLogP4.25
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-3-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 60539086
N-cyclohexyl-4-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylbenzamide
CID 55917739
N-cycloheptyl-4-(ethylamino)-3-methylbenzamide
CID 63210563
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methyl-N-(2-methylpropyl)benzamide
CID 47088144
N-cyclohexyl-3-methyl-4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzamide
CID 55918125
N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide
CID 41466640
N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide
CID 18156030
N-cyclopropyl-3-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-4-methylbenzamide
CID 60537287
N-cyclopropyl-4-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 60537386
N-cyclohexyl-3-methyl-4-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide
CID 60561835
N-cyclohexyl-3-methyl-4-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzamide
CID 55879039
N-cyclohexyl-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The IUPAC name of N-cyclohexyl-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide (CID 55918894) is N-cyclohexyl-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide.
What is the SMILES notation for N-cyclohexyl-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The canonical SMILES for N-cyclohexyl-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide is Cc1cc(C(=O)NC2CCCCC2)ccc1NCc1nc(CC(C)C)no1.
What is the InChIKey of N-cyclohexyl-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The InChIKey is FCKAMYCOFUWUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-14(2)11-19-24-20(27-25-19)13-22-18-10-9-16(12-15(18)3)21(26)23-17-7-5-4-6-8-17/h9-10,12,14,17,22H,4-8,11,13H2,1-3H3,(H,23,26).
What are the key properties of N-cyclohexyl-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
N-cyclohexyl-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide has a molecular weight of 370.50 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide is sourced from PubChem (CID 55918894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).