2-ethyl-N-hexyl-1,3-benzoxazol-5-amine

C15H22N2O — CID 63451586

IUPAC2-ethyl-N-hexyl-1,3-benzoxazol-5-amine
SMILESCCCCCCNc1ccc2oc(CC)nc2c1
InChIInChI=1S/C15H22N2O/c1-3-5-6-7-10-16-12-8-9-14-13(11-12)17-15(4-2)18-14/h8-9,11,16H,3-7,10H2,1-2H3
InChIKeyGYQYCNSQZDPVPK-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.38
Rot. Bonds7

About 2-ethyl-N-hexyl-1,3-benzoxazol-5-amine

2-ethyl-N-hexyl-1,3-benzoxazol-5-amine (PubChem CID 63451586) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-ethyl-N-hexyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-ethyl-N-hexyl-1,3-benzoxazol-5-amine
PubChem CID63451586
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-ethyl-N-hexyl-1,3-benzoxazol-5-amine
SMILESCCCCCCNc1ccc2oc(CC)nc2c1
InChIInChI=1S/C15H22N2O/c1-3-5-6-7-10-16-12-8-9-14-13(11-12)17-15(4-2)18-14/h8-9,11,16H,3-7,10H2,1-2H3
InChIKeyGYQYCNSQZDPVPK-UHFFFAOYSA-N
XLogP4.38
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.38
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

N-heptyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745098
2-ethyl-N-methyl-1,3-benzoxazol-5-amine
CID 63090196
2-ethyl-N-(2-methylpentyl)-1,3-benzoxazol-5-amine
CID 54866635
2-ethyl-N-[(2-fluorophenyl)methyl]-1,3-benzoxazol-5-amine
CID 60930795
2-[[(2-ethyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol
CID 81418601
N-[(3-chloro-4-methylphenyl)methyl]-2-ethyl-1,3-benzoxazol-5-amine
CID 106816642
2-ethyl-N-(3-methylbutan-2-yl)-1,3-benzoxazol-5-amine
CID 54866667
2-ethyl-N-(1H-imidazol-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 54976526
2-ethyl-1,3-benzoxazole-5-thiol
CID 131010364
N'-(2-methyl-1,3-benzoxazol-5-yl)butane-1,4-diamine
CID 115201041
3-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-2-methylbutan-2-ol
CID 65337571
2-ethyl-N-[(1-propylpyrrol-3-yl)methyl]-1,3-benzoxazol-5-amine
CID 66416145

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-hexyl-1,3-benzoxazol-5-amine?
The IUPAC name of 2-ethyl-N-hexyl-1,3-benzoxazol-5-amine (CID 63451586) is 2-ethyl-N-hexyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-ethyl-N-hexyl-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-ethyl-N-hexyl-1,3-benzoxazol-5-amine is CCCCCCNc1ccc2oc(CC)nc2c1.
What is the InChIKey of 2-ethyl-N-hexyl-1,3-benzoxazol-5-amine?
The InChIKey is GYQYCNSQZDPVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-5-6-7-10-16-12-8-9-14-13(11-12)17-15(4-2)18-14/h8-9,11,16H,3-7,10H2,1-2H3.
What are the key properties of 2-ethyl-N-hexyl-1,3-benzoxazol-5-amine?
2-ethyl-N-hexyl-1,3-benzoxazol-5-amine has a molecular weight of 246.35 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-hexyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 63451586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).