4-(5-ethyl-1,3-benzoxazol-2-yl)aniline

C15H14N2O — CID 735943

IUPAC4-(5-ethyl-1,3-benzoxazol-2-yl)aniline
SMILESCCc1ccc2oc(-c3ccc(N)cc3)nc2c1
InChIInChI=1S/C15H14N2O/c1-2-10-3-8-14-13(9-10)17-15(18-14)11-4-6-12(16)7-5-11/h3-9H,2,16H2,1H3
InChIKeyODZPTRODOSVYCM-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.64
Rot. Bonds2

About 4-(5-ethyl-1,3-benzoxazol-2-yl)aniline

4-(5-ethyl-1,3-benzoxazol-2-yl)aniline (PubChem CID 735943) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(5-ethyl-1,3-benzoxazol-2-yl)aniline.

Molecular Properties

Compound Name4-(5-ethyl-1,3-benzoxazol-2-yl)aniline
PubChem CID735943
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4-(5-ethyl-1,3-benzoxazol-2-yl)aniline
SMILESCCc1ccc2oc(-c3ccc(N)cc3)nc2c1
InChIInChI=1S/C15H14N2O/c1-2-10-3-8-14-13(9-10)17-15(18-14)11-4-6-12(16)7-5-11/h3-9H,2,16H2,1H3
InChIKeyODZPTRODOSVYCM-UHFFFAOYSA-N
XLogP3.64
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1,3-benzoxazol-2-yl)aniline?
The IUPAC name of 4-(5-ethyl-1,3-benzoxazol-2-yl)aniline (CID 735943) is 4-(5-ethyl-1,3-benzoxazol-2-yl)aniline.
What is the SMILES notation for 4-(5-ethyl-1,3-benzoxazol-2-yl)aniline?
The canonical SMILES for 4-(5-ethyl-1,3-benzoxazol-2-yl)aniline is CCc1ccc2oc(-c3ccc(N)cc3)nc2c1.
What is the InChIKey of 4-(5-ethyl-1,3-benzoxazol-2-yl)aniline?
The InChIKey is ODZPTRODOSVYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-2-10-3-8-14-13(9-10)17-15(18-14)11-4-6-12(16)7-5-11/h3-9H,2,16H2,1H3.
What are the key properties of 4-(5-ethyl-1,3-benzoxazol-2-yl)aniline?
4-(5-ethyl-1,3-benzoxazol-2-yl)aniline has a molecular weight of 238.29 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1,3-benzoxazol-2-yl)aniline is sourced from PubChem (CID 735943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).