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

C15H20N2O — CID 15421816

IUPAC(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pent-1-en-1-amine
SMILESCCC/C(C1=NCCO1)=C(/N)c1ccc(C)cc1
InChIInChI=1S/C15H20N2O/c1-3-4-13(15-17-9-10-18-15)14(16)12-7-5-11(2)6-8-12/h5-8H,3-4,9-10,16H2,1-2H3/b14-13-
InChIKeyOOYWYDIVELPTQH-YPKPFQOOSA-N
MW244.34 g/mol
LogP2.89
Rot. Bonds4

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

(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pent-1-en-1-amine (PubChem CID 15421816) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pent-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pent-1-en-1-amine
PubChem CID15421816
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pent-1-en-1-amine
SMILESCCC/C(C1=NCCO1)=C(/N)c1ccc(C)cc1
InChIInChI=1S/C15H20N2O/c1-3-4-13(15-17-9-10-18-15)14(16)12-7-5-11(2)6-8-12/h5-8H,3-4,9-10,16H2,1-2H3/b14-13-
InChIKeyOOYWYDIVELPTQH-YPKPFQOOSA-N
XLogP2.89
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethenamine
CID 15421797
(Z)-1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethenamine
CID 101241172
(Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethenamine
CID 13326607
(Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(3-methylphenyl)ethenamine
CID 101024184
[4-(4,5-Dihydro-1,3-oxazol-2-yl)phenyl]methanamine
CID 84655554
(4S)-4-phenyl-2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole
CID 102129580
2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine
CID 139716121
2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine
CID 139716124
1-phenyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethenamine
CID 139716125
4-Phenyl-2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole
CID 140116510
4-Benzylimino-1-methoxy-3-methylbut-2-en-2-amine
CID 149179096
4-Ethenylaniline;2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole
CID 160001507

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pent-1-en-1-amine?
The IUPAC name of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pent-1-en-1-amine (CID 15421816) is (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pent-1-en-1-amine.
What is the SMILES notation for (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pent-1-en-1-amine?
The canonical SMILES for (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pent-1-en-1-amine is CCC/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)pent-1-en-1-amine?
The InChIKey is OOYWYDIVELPTQH-YPKPFQOOSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-4-13(15-17-9-10-18-15)14(16)12-7-5-11(2)6-8-12/h5-8H,3-4,9-10,16H2,1-2H3/b14-13-.
What are the key properties of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pent-1-en-1-amine?
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pent-1-en-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.89, 4 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)pent-1-en-1-amine is sourced from PubChem (CID 15421816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).