N-[3-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-cyclopropyl-4-(pyridin-2-ylmethoxy)aniline

C31H34N4O2 — CID 146295965

IUPACN-[3-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-cyclopropyl-4-(pyridin-2-ylmethoxy)aniline
SMILESc1ccc(COc2ccc(Nc3cccc(-c4noc(CCC5CCCCC5)n4)c3)c(C3CC3)c2)nc1
InChIInChI=1S/C31H34N4O2/c1-2-7-22(8-3-1)12-17-30-34-31(35-37-30)24-9-6-11-25(19-24)33-29-16-15-27(20-28(29)23-13-14-23)36-21-26-10-4-5-18-32-26/h4-6,9-11,15-16,18-20,22-23,33H,1-3,7-8,12-14,17,21H2
InChIKeyGURMTTYOOVCDQY-UHFFFAOYSA-N
MW494.64 g/mol
LogP7.84
Rot. Bonds10

About N-[3-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-cyclopropyl-4-(pyridin-2-ylmethoxy)aniline

N-[3-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-cyclopropyl-4-(pyridin-2-ylmethoxy)aniline (PubChem CID 146295965) has the molecular formula C31H34N4O2 and a molecular weight of 494.64 g/mol. Its IUPAC name is N-[3-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-cyclopropyl-4-(pyridin-2-ylmethoxy)aniline.

Molecular Properties

Compound NameN-[3-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-cyclopropyl-4-(pyridin-2-ylmethoxy)aniline
PubChem CID146295965
Molecular FormulaC31H34N4O2
Molecular Weight494.64 g/mol
Exact Mass494.27
IUPAC NameN-[3-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-cyclopropyl-4-(pyridin-2-ylmethoxy)aniline
SMILESc1ccc(COc2ccc(Nc3cccc(-c4noc(CCC5CCCCC5)n4)c3)c(C3CC3)c2)nc1
InChIInChI=1S/C31H34N4O2/c1-2-7-22(8-3-1)12-17-30-34-31(35-37-30)24-9-6-11-25(19-24)33-29-16-15-27(20-28(29)23-13-14-23)36-21-26-10-4-5-18-32-26/h4-6,9-11,15-16,18-20,22-23,33H,1-3,7-8,12-14,17,21H2
InChIKeyGURMTTYOOVCDQY-UHFFFAOYSA-N
XLogP7.84
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-cyclopropyl-4-(pyridin-2-ylmethoxy)aniline with MolForge

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Related Compounds

2-cyclopropyl-N-[3-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline
CID 146301557
2-cyclopropyl-N-[3-[2-(3-methylbut-2-enyl)tetrazol-5-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline
CID 146295896
3-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]phenol;molecular hydrogen;prop-1-ene;sulfane
CID 153391654
5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8895516
5-(2-piperidin-4-ylethyl)-3-[3-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120840531
N-(2-cyclopentylethyl)-3-[2-cyclopropyl-4-(pyridin-4-ylmethoxy)anilino]benzamide
CID 146295815
4-cyclopentyl-1-[3-[4-(pyridin-2-ylmethoxy)anilino]phenyl]butan-1-one
CID 158534740
3-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921225
N-(2-cyclopentylethyl)-3-[2-methyl-4-(2-pyridin-2-ylethoxy)anilino]benzamide
CID 146295901
1-[3-[2-methyl-4-(pyridin-2-ylmethoxy)anilino]phenyl]-2-(oxetan-3-yl)ethanone
CID 158035478
N-[3-(3-cyclohexylpropoxy)-5-methylphenyl]-2-cyclopropyl-4-phenylmethoxyaniline
CID 146295836
2-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]-N-(3-methylbutyl)benzamide
CID 146295816

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-cyclopropyl-4-(pyridin-2-ylmethoxy)aniline?
The IUPAC name of N-[3-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-cyclopropyl-4-(pyridin-2-ylmethoxy)aniline (CID 146295965) is N-[3-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-cyclopropyl-4-(pyridin-2-ylmethoxy)aniline.
What is the SMILES notation for N-[3-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-cyclopropyl-4-(pyridin-2-ylmethoxy)aniline?
The canonical SMILES for N-[3-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-cyclopropyl-4-(pyridin-2-ylmethoxy)aniline is c1ccc(COc2ccc(Nc3cccc(-c4noc(CCC5CCCCC5)n4)c3)c(C3CC3)c2)nc1.
What is the InChIKey of N-[3-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-cyclopropyl-4-(pyridin-2-ylmethoxy)aniline?
The InChIKey is GURMTTYOOVCDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O2/c1-2-7-22(8-3-1)12-17-30-34-31(35-37-30)24-9-6-11-25(19-24)33-29-16-15-27(20-28(29)23-13-14-23)36-21-26-10-4-5-18-32-26/h4-6,9-11,15-16,18-20,22-23,33H,1-3,7-8,12-14,17,21H2.
What are the key properties of N-[3-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-cyclopropyl-4-(pyridin-2-ylmethoxy)aniline?
N-[3-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-cyclopropyl-4-(pyridin-2-ylmethoxy)aniline has a molecular weight of 494.64 g/mol, XLogP of 7.84, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-cyclopropyl-4-(pyridin-2-ylmethoxy)aniline is sourced from PubChem (CID 146295965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).