(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)hex-1-en-1-amine

C16H22N2O — CID 15421817

IUPAC(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)hex-1-en-1-amine
SMILESCCCC/C(C1=NCCO1)=C(/N)c1ccc(C)cc1
InChIInChI=1S/C16H22N2O/c1-3-4-5-14(16-18-10-11-19-16)15(17)13-8-6-12(2)7-9-13/h6-9H,3-5,10-11,17H2,1-2H3/b15-14-
InChIKeyQLHLNZZGWPXMHA-PFONDFGASA-N
MW258.36 g/mol
LogP3.28
Rot. Bonds5

About (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)hex-1-en-1-amine

(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)hex-1-en-1-amine (PubChem CID 15421817) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)hex-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)hex-1-en-1-amine
PubChem CID15421817
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)hex-1-en-1-amine
SMILESCCCC/C(C1=NCCO1)=C(/N)c1ccc(C)cc1
InChIInChI=1S/C16H22N2O/c1-3-4-5-14(16-18-10-11-19-16)15(17)13-8-6-12(2)7-9-13/h6-9H,3-5,10-11,17H2,1-2H3/b15-14-
InChIKeyQLHLNZZGWPXMHA-PFONDFGASA-N
XLogP3.28
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)hex-1-en-1-amine?
The IUPAC name of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)hex-1-en-1-amine (CID 15421817) is (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)hex-1-en-1-amine.
What is the SMILES notation for (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)hex-1-en-1-amine?
The canonical SMILES for (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)hex-1-en-1-amine is CCCC/C(C1=NCCO1)=C(/N)c1ccc(C)cc1.
What is the InChIKey of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)hex-1-en-1-amine?
The InChIKey is QLHLNZZGWPXMHA-PFONDFGASA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-4-5-14(16-18-10-11-19-16)15(17)13-8-6-12(2)7-9-13/h6-9H,3-5,10-11,17H2,1-2H3/b15-14-.
What are the key properties of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)hex-1-en-1-amine?
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)hex-1-en-1-amine has a molecular weight of 258.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)hex-1-en-1-amine is sourced from PubChem (CID 15421817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).