5-ethyl-2-(2-phenylethyl)-1,3-benzoxazol-7-amine

C17H18N2O — CID 82095491

IUPAC5-ethyl-2-(2-phenylethyl)-1,3-benzoxazol-7-amine
SMILESCCc1cc(N)c2oc(CCc3ccccc3)nc2c1
InChIInChI=1S/C17H18N2O/c1-2-12-10-14(18)17-15(11-12)19-16(20-17)9-8-13-6-4-3-5-7-13/h3-7,10-11H,2,8-9,18H2,1H3
InChIKeyGDWXIBKNACQOOD-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.76
Rot. Bonds4

About 5-ethyl-2-(2-phenylethyl)-1,3-benzoxazol-7-amine

5-ethyl-2-(2-phenylethyl)-1,3-benzoxazol-7-amine (PubChem CID 82095491) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-ethyl-2-(2-phenylethyl)-1,3-benzoxazol-7-amine.

Molecular Properties

Compound Name5-ethyl-2-(2-phenylethyl)-1,3-benzoxazol-7-amine
PubChem CID82095491
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name5-ethyl-2-(2-phenylethyl)-1,3-benzoxazol-7-amine
SMILESCCc1cc(N)c2oc(CCc3ccccc3)nc2c1
InChIInChI=1S/C17H18N2O/c1-2-12-10-14(18)17-15(11-12)19-16(20-17)9-8-13-6-4-3-5-7-13/h3-7,10-11H,2,8-9,18H2,1H3
InChIKeyGDWXIBKNACQOOD-UHFFFAOYSA-N
XLogP3.76
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(2-phenylethyl)-1,3-benzoxazol-7-amine
CID 82095452
5-butyl-2-propyl-1,3-benzoxazol-7-amine
CID 94977224
2-[2-(3-methylphenyl)ethyl]-1,3-benzoxazol-7-amine
CID 28752287
2-(2,2-dimethylpropyl)-5-propyl-1,3-benzoxazol-7-amine
CID 82232206
(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)methanamine
CID 82232637
3-[2-(1,3-benzoxazol-2-yl)ethyl]aniline
CID 80502507
2-ethyl-1,3-benzoxazol-7-amine
CID 28752253
5-bromo-2-butyl-1,3-benzoxazol-7-amine
CID 104728838
N-(4-ethylphenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089405
5-methyl-2-(phenoxymethyl)-1,3-benzoxazol-7-amine
CID 82095441
6-methyl-2-(2-phenylethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337860
[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]boronic acid
CID 44520555

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-phenylethyl)-1,3-benzoxazol-7-amine?
The IUPAC name of 5-ethyl-2-(2-phenylethyl)-1,3-benzoxazol-7-amine (CID 82095491) is 5-ethyl-2-(2-phenylethyl)-1,3-benzoxazol-7-amine.
What is the SMILES notation for 5-ethyl-2-(2-phenylethyl)-1,3-benzoxazol-7-amine?
The canonical SMILES for 5-ethyl-2-(2-phenylethyl)-1,3-benzoxazol-7-amine is CCc1cc(N)c2oc(CCc3ccccc3)nc2c1.
What is the InChIKey of 5-ethyl-2-(2-phenylethyl)-1,3-benzoxazol-7-amine?
The InChIKey is GDWXIBKNACQOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-12-10-14(18)17-15(11-12)19-16(20-17)9-8-13-6-4-3-5-7-13/h3-7,10-11H,2,8-9,18H2,1H3.
What are the key properties of 5-ethyl-2-(2-phenylethyl)-1,3-benzoxazol-7-amine?
5-ethyl-2-(2-phenylethyl)-1,3-benzoxazol-7-amine has a molecular weight of 266.34 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-phenylethyl)-1,3-benzoxazol-7-amine is sourced from PubChem (CID 82095491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).