[5-(4-hexylphenyl)-1,3-oxazol-2-yl]methanamine

C16H22N2O — CID 82360063

IUPAC[5-(4-hexylphenyl)-1,3-oxazol-2-yl]methanamine
SMILESCCCCCCc1ccc(-c2cnc(CN)o2)cc1
InChIInChI=1S/C16H22N2O/c1-2-3-4-5-6-13-7-9-14(10-8-13)15-12-18-16(11-17)19-15/h7-10,12H,2-6,11,17H2,1H3
InChIKeyLNFGTHMAFNHAIP-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.92
Rot. Bonds7

About [5-(4-hexylphenyl)-1,3-oxazol-2-yl]methanamine

[5-(4-hexylphenyl)-1,3-oxazol-2-yl]methanamine (PubChem CID 82360063) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is [5-(4-hexylphenyl)-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-hexylphenyl)-1,3-oxazol-2-yl]methanamine
PubChem CID82360063
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name[5-(4-hexylphenyl)-1,3-oxazol-2-yl]methanamine
SMILESCCCCCCc1ccc(-c2cnc(CN)o2)cc1
InChIInChI=1S/C16H22N2O/c1-2-3-4-5-6-13-7-9-14(10-8-13)15-12-18-16(11-17)19-15/h7-10,12H,2-6,11,17H2,1H3
InChIKeyLNFGTHMAFNHAIP-UHFFFAOYSA-N
XLogP3.92
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 93186337
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
2-hexyl-5-(4-pentylphenyl)pyridine
CID 86160726
2-(3-chloropropyl)-5-(4-ethylphenyl)-1,3-oxazole
CID 65180183
5-(4-butylphenyl)-2-(1-chloroethyl)-1,3-oxazole
CID 102537710
2-(4-decylphenyl)-5-pentadecylpyrimidine
CID 139803474
5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426
2-(4-dodecylphenyl)-5-pentadecylpyrimidine
CID 139803541
5-hexyl-2-(4-nonylphenyl)pyrimidine
CID 14227569
5-tetradecyl-2-(4-tridecylphenyl)pyrimidine
CID 139803490
5-dodecyl-2-(4-hexylphenyl)pyrimidine
CID 139803450
5-octyl-2-(4-octylphenyl)pyrimidine
CID 18544772

Frequently Asked Questions

What is the IUPAC name of [5-(4-hexylphenyl)-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-(4-hexylphenyl)-1,3-oxazol-2-yl]methanamine (CID 82360063) is [5-(4-hexylphenyl)-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-(4-hexylphenyl)-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-(4-hexylphenyl)-1,3-oxazol-2-yl]methanamine is CCCCCCc1ccc(-c2cnc(CN)o2)cc1.
What is the InChIKey of [5-(4-hexylphenyl)-1,3-oxazol-2-yl]methanamine?
The InChIKey is LNFGTHMAFNHAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-3-4-5-6-13-7-9-14(10-8-13)15-12-18-16(11-17)19-15/h7-10,12H,2-6,11,17H2,1H3.
What are the key properties of [5-(4-hexylphenyl)-1,3-oxazol-2-yl]methanamine?
[5-(4-hexylphenyl)-1,3-oxazol-2-yl]methanamine has a molecular weight of 258.37 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-hexylphenyl)-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 82360063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).