N-hexyl-3-(1,3-oxazol-5-yl)aniline

C15H20N2O — CID 54865068

IUPACN-hexyl-3-(1,3-oxazol-5-yl)aniline
SMILESCCCCCCNc1cccc(-c2cnco2)c1
InChIInChI=1S/C15H20N2O/c1-2-3-4-5-9-17-14-8-6-7-13(10-14)15-11-16-12-18-15/h6-8,10-12,17H,2-5,9H2,1H3
InChIKeyJXBZCGMEHFWCPI-UHFFFAOYSA-N
MW244.34 g/mol
LogP4.33
Rot. Bonds7

About N-hexyl-3-(1,3-oxazol-5-yl)aniline

N-hexyl-3-(1,3-oxazol-5-yl)aniline (PubChem CID 54865068) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-hexyl-3-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-hexyl-3-(1,3-oxazol-5-yl)aniline
PubChem CID54865068
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-hexyl-3-(1,3-oxazol-5-yl)aniline
SMILESCCCCCCNc1cccc(-c2cnco2)c1
InChIInChI=1S/C15H20N2O/c1-2-3-4-5-9-17-14-8-6-7-13(10-14)15-11-16-12-18-15/h6-8,10-12,17H,2-5,9H2,1H3
InChIKeyJXBZCGMEHFWCPI-UHFFFAOYSA-N
XLogP4.33
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 54.33
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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Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-hexyl-3-(1,3-oxazol-5-yl)aniline (CID 54865068) is N-hexyl-3-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-hexyl-3-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-hexyl-3-(1,3-oxazol-5-yl)aniline is CCCCCCNc1cccc(-c2cnco2)c1.
What is the InChIKey of N-hexyl-3-(1,3-oxazol-5-yl)aniline?
The InChIKey is JXBZCGMEHFWCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-3-4-5-9-17-14-8-6-7-13(10-14)15-11-16-12-18-15/h6-8,10-12,17H,2-5,9H2,1H3.
What are the key properties of N-hexyl-3-(1,3-oxazol-5-yl)aniline?
N-hexyl-3-(1,3-oxazol-5-yl)aniline has a molecular weight of 244.34 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 54865068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).