N-(4-ethylphenyl)-1,3-benzoxazol-2-amine

C15H14N2O — CID 39918957

IUPACN-(4-ethylphenyl)-1,3-benzoxazol-2-amine
SMILESCCc1ccc(Nc2nc3ccccc3o2)cc1
InChIInChI=1S/C15H14N2O/c1-2-11-7-9-12(10-8-11)16-15-17-13-5-3-4-6-14(13)18-15/h3-10H,2H2,1H3,(H,16,17)
InChIKeyKKIDKWUGBUWNPR-UHFFFAOYSA-N
MW238.29 g/mol
LogP4.13
Rot. Bonds3

About N-(4-ethylphenyl)-1,3-benzoxazol-2-amine

N-(4-ethylphenyl)-1,3-benzoxazol-2-amine (PubChem CID 39918957) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1,3-benzoxazol-2-amine
PubChem CID39918957
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC NameN-(4-ethylphenyl)-1,3-benzoxazol-2-amine
SMILESCCc1ccc(Nc2nc3ccccc3o2)cc1
InChIInChI=1S/C15H14N2O/c1-2-11-7-9-12(10-8-11)16-15-17-13-5-3-4-6-14(13)18-15/h3-10H,2H2,1H3,(H,16,17)
InChIKeyKKIDKWUGBUWNPR-UHFFFAOYSA-N
XLogP4.13
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(4-ethylphenyl)-1,3-benzoxazol-2-amine (CID 39918957) is N-(4-ethylphenyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(4-ethylphenyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(4-ethylphenyl)-1,3-benzoxazol-2-amine is CCc1ccc(Nc2nc3ccccc3o2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1,3-benzoxazol-2-amine?
The InChIKey is KKIDKWUGBUWNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-2-11-7-9-12(10-8-11)16-15-17-13-5-3-4-6-14(13)18-15/h3-10H,2H2,1H3,(H,16,17).
What are the key properties of N-(4-ethylphenyl)-1,3-benzoxazol-2-amine?
N-(4-ethylphenyl)-1,3-benzoxazol-2-amine has a molecular weight of 238.29 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 39918957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).