4-(4-hexylphenyl)-1,2,5-oxadiazol-3-amine

C14H19N3O — CID 82358087

IUPAC4-(4-hexylphenyl)-1,2,5-oxadiazol-3-amine
SMILESCCCCCCc1ccc(-c2nonc2N)cc1
InChIInChI=1S/C14H19N3O/c1-2-3-4-5-6-11-7-9-12(10-8-11)13-14(15)17-18-16-13/h7-10H,2-6H2,1H3,(H2,15,17)
InChIKeyDVFAXFYGQXQCAN-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.44
Rot. Bonds6

About 4-(4-hexylphenyl)-1,2,5-oxadiazol-3-amine

4-(4-hexylphenyl)-1,2,5-oxadiazol-3-amine (PubChem CID 82358087) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-(4-hexylphenyl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(4-hexylphenyl)-1,2,5-oxadiazol-3-amine
PubChem CID82358087
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-(4-hexylphenyl)-1,2,5-oxadiazol-3-amine
SMILESCCCCCCc1ccc(-c2nonc2N)cc1
InChIInChI=1S/C14H19N3O/c1-2-3-4-5-6-11-7-9-12(10-8-11)13-14(15)17-18-16-13/h7-10H,2-6H2,1H3,(H2,15,17)
InChIKeyDVFAXFYGQXQCAN-UHFFFAOYSA-N
XLogP3.44
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-hexylphenyl)-1,2,5-oxadiazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-octyl-4-(4-octylphenyl)benzene
CID 22766415
4-dodecylaniline;nonadecane
CID 155059812
4-hexadecylaniline
CID 571906
1-butyl-4-nonylbenzene
CID 59545302
6-decyl-2-(6-decylazulen-2-yl)azulene
CID 177425014
1-methyl-4-octylbenzene
CID 11052746
1-pentadecyl-4-phenylbenzene
CID 57166115
(4-decylphenyl)-trimethylsilane
CID 69331769
5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine
CID 70689163
4-[2-(4-pentylphenyl)ethyl]aniline
CID 130451163
(4-undecylphenyl)methanethiol
CID 152658546
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985

Frequently Asked Questions

What is the IUPAC name of 4-(4-hexylphenyl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(4-hexylphenyl)-1,2,5-oxadiazol-3-amine (CID 82358087) is 4-(4-hexylphenyl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(4-hexylphenyl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(4-hexylphenyl)-1,2,5-oxadiazol-3-amine is CCCCCCc1ccc(-c2nonc2N)cc1.
What is the InChIKey of 4-(4-hexylphenyl)-1,2,5-oxadiazol-3-amine?
The InChIKey is DVFAXFYGQXQCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-3-4-5-6-11-7-9-12(10-8-11)13-14(15)17-18-16-13/h7-10H,2-6H2,1H3,(H2,15,17).
What are the key properties of 4-(4-hexylphenyl)-1,2,5-oxadiazol-3-amine?
4-(4-hexylphenyl)-1,2,5-oxadiazol-3-amine has a molecular weight of 245.33 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hexylphenyl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 82358087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).