3-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diamine

C15H20N4O — CID 174233271

IUPAC3-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diamine
SMILESCc1noc(-c2ccc(N)c(N)c2C2CCCCC2)n1
InChIInChI=1S/C15H20N4O/c1-9-18-15(20-19-9)11-7-8-12(16)14(17)13(11)10-5-3-2-4-6-10/h7-8,10H,2-6,16-17H2,1H3
InChIKeyMVWCYWPWVFCZLB-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.26
Rot. Bonds2

About 3-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diamine

3-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diamine (PubChem CID 174233271) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diamine
PubChem CID174233271
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diamine
SMILESCc1noc(-c2ccc(N)c(N)c2C2CCCCC2)n1
InChIInChI=1S/C15H20N4O/c1-9-18-15(20-19-9)11-7-8-12(16)14(17)13(11)10-5-3-2-4-6-10/h7-8,10H,2-6,16-17H2,1H3
InChIKeyMVWCYWPWVFCZLB-UHFFFAOYSA-N
XLogP3.26
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methylaniline
CID 80609645
5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 28529083
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-5-fluoroaniline
CID 80609851
2-amino-6-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)phenol
CID 136712774
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine
CID 65389514
CID 162193867
CID 162193867
N-cyclohexyl-4-methyl-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
CID 118263814
3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylphenol
CID 82830760
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine
CID 60921785
2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc
CID 135979761
2-bromo-4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)aniline
CID 65391085
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 114016525

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diamine?
The IUPAC name of 3-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diamine (CID 174233271) is 3-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diamine.
What is the SMILES notation for 3-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diamine?
The canonical SMILES for 3-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diamine is Cc1noc(-c2ccc(N)c(N)c2C2CCCCC2)n1.
What is the InChIKey of 3-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diamine?
The InChIKey is MVWCYWPWVFCZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-9-18-15(20-19-9)11-7-8-12(16)14(17)13(11)10-5-3-2-4-6-10/h7-8,10H,2-6,16-17H2,1H3.
What are the key properties of 3-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diamine?
3-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diamine has a molecular weight of 272.35 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diamine is sourced from PubChem (CID 174233271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).