N-cyclohexyl-2-(cyclohexylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline

C22H31N3O — CID 166767624

IUPACN-cyclohexyl-2-(cyclohexylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCc1noc(-c2ccc(NC3CCCCC3)c(CC3CCCCC3)c2)n1
InChIInChI=1S/C22H31N3O/c1-16-23-22(26-25-16)18-12-13-21(24-20-10-6-3-7-11-20)19(15-18)14-17-8-4-2-5-9-17/h12-13,15,17,20,24H,2-11,14H2,1H3
InChIKeyZVHZHRFVIAOHFT-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.91
Rot. Bonds5

About N-cyclohexyl-2-(cyclohexylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline

N-cyclohexyl-2-(cyclohexylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 166767624) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is N-cyclohexyl-2-(cyclohexylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound NameN-cyclohexyl-2-(cyclohexylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID166767624
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC NameN-cyclohexyl-2-(cyclohexylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCc1noc(-c2ccc(NC3CCCCC3)c(CC3CCCCC3)c2)n1
InChIInChI=1S/C22H31N3O/c1-16-23-22(26-25-16)18-12-13-21(24-20-10-6-3-7-11-20)19(15-18)14-17-8-4-2-5-9-17/h12-13,15,17,20,24H,2-11,14H2,1H3
InChIKeyZVHZHRFVIAOHFT-UHFFFAOYSA-N
XLogP5.91
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-N-(1-tricyclo[5.3.1.04,9]undecanyl)benzene-1,2-diamine
CID 166767600
N-benzyl-2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine
CID 159289867
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 133383380
5-[4-(cyclopropylmethoxy)phenyl]-3-methyl-1,2,4-oxadiazole
CID 91283745
5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole
CID 127318368
5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 71564469
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-prop-2-enylpiperidin-4-yl)pyridin-2-amine
CID 133320073
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 56770081
N-cyclohexyl-5-phenyl-1,2,4-oxadiazol-3-amine
CID 133481460
3-methyl-5-(3-methyl-4-propylphenyl)-1,2,4-oxadiazole
CID 58078831
5-[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-2-iodoaniline
CID 112754175
4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 3692407

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(cyclohexylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of N-cyclohexyl-2-(cyclohexylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline (CID 166767624) is N-cyclohexyl-2-(cyclohexylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for N-cyclohexyl-2-(cyclohexylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for N-cyclohexyl-2-(cyclohexylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline is Cc1noc(-c2ccc(NC3CCCCC3)c(CC3CCCCC3)c2)n1.
What is the InChIKey of N-cyclohexyl-2-(cyclohexylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is ZVHZHRFVIAOHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-16-23-22(26-25-16)18-12-13-21(24-20-10-6-3-7-11-20)19(15-18)14-17-8-4-2-5-9-17/h12-13,15,17,20,24H,2-11,14H2,1H3.
What are the key properties of N-cyclohexyl-2-(cyclohexylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
N-cyclohexyl-2-(cyclohexylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 353.51 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(cyclohexylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 166767624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).