1-[2-(1,2-benzoxazol-3-yl)phenyl]-4-methylpent-3-en-1-amine

C19H20N2O — CID 18357509

IUPAC1-[2-(1,2-benzoxazol-3-yl)phenyl]-4-methylpent-3-en-1-amine
SMILESCC(C)=CCC(N)c1ccccc1-c1noc2ccccc12
InChIInChI=1S/C19H20N2O/c1-13(2)11-12-17(20)14-7-3-4-8-15(14)19-16-9-5-6-10-18(16)22-21-19/h3-11,17H,12,20H2,1-2H3
InChIKeyHJLFYSCMBMPPPO-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.85
Rot. Bonds4

About 1-[2-(1,2-benzoxazol-3-yl)phenyl]-4-methylpent-3-en-1-amine

1-[2-(1,2-benzoxazol-3-yl)phenyl]-4-methylpent-3-en-1-amine (PubChem CID 18357509) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[2-(1,2-benzoxazol-3-yl)phenyl]-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name1-[2-(1,2-benzoxazol-3-yl)phenyl]-4-methylpent-3-en-1-amine
PubChem CID18357509
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1-[2-(1,2-benzoxazol-3-yl)phenyl]-4-methylpent-3-en-1-amine
SMILESCC(C)=CCC(N)c1ccccc1-c1noc2ccccc12
InChIInChI=1S/C19H20N2O/c1-13(2)11-12-17(20)14-7-3-4-8-15(14)19-16-9-5-6-10-18(16)22-21-19/h3-11,17H,12,20H2,1-2H3
InChIKeyHJLFYSCMBMPPPO-UHFFFAOYSA-N
XLogP4.85
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2-benzoxazol-3-yl)phenyl]-4-methylpent-3-en-1-amine?
The IUPAC name of 1-[2-(1,2-benzoxazol-3-yl)phenyl]-4-methylpent-3-en-1-amine (CID 18357509) is 1-[2-(1,2-benzoxazol-3-yl)phenyl]-4-methylpent-3-en-1-amine.
What is the SMILES notation for 1-[2-(1,2-benzoxazol-3-yl)phenyl]-4-methylpent-3-en-1-amine?
The canonical SMILES for 1-[2-(1,2-benzoxazol-3-yl)phenyl]-4-methylpent-3-en-1-amine is CC(C)=CCC(N)c1ccccc1-c1noc2ccccc12.
What is the InChIKey of 1-[2-(1,2-benzoxazol-3-yl)phenyl]-4-methylpent-3-en-1-amine?
The InChIKey is HJLFYSCMBMPPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-13(2)11-12-17(20)14-7-3-4-8-15(14)19-16-9-5-6-10-18(16)22-21-19/h3-11,17H,12,20H2,1-2H3.
What are the key properties of 1-[2-(1,2-benzoxazol-3-yl)phenyl]-4-methylpent-3-en-1-amine?
1-[2-(1,2-benzoxazol-3-yl)phenyl]-4-methylpent-3-en-1-amine has a molecular weight of 292.38 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2-benzoxazol-3-yl)phenyl]-4-methylpent-3-en-1-amine is sourced from PubChem (CID 18357509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).