(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(3-methylphenyl)ethenamine

C14H18N2O — CID 10657101

IUPAC(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(3-methylphenyl)ethenamine
SMILESCc1cccc(/C(N)=C\C2=NC(C)(C)CO2)c1
InChIInChI=1S/C14H18N2O/c1-10-5-4-6-11(7-10)12(15)8-13-16-14(2,3)9-17-13/h4-8H,9,15H2,1-3H3/b12-8+
InChIKeyNMDFISGMNFWJTD-XYOKQWHBSA-N
MW230.31 g/mol
LogP2.50
Rot. Bonds2

About (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(3-methylphenyl)ethenamine

(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(3-methylphenyl)ethenamine (PubChem CID 10657101) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(3-methylphenyl)ethenamine.

Molecular Properties

Compound Name(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(3-methylphenyl)ethenamine
PubChem CID10657101
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(3-methylphenyl)ethenamine
SMILESCc1cccc(/C(N)=C\C2=NC(C)(C)CO2)c1
InChIInChI=1S/C14H18N2O/c1-10-5-4-6-11(7-10)12(15)8-13-16-14(2,3)9-17-13/h4-8H,9,15H2,1-3H3/b12-8+
InChIKeyNMDFISGMNFWJTD-XYOKQWHBSA-N
XLogP2.50
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1Z)-2-(4,4-dimethyl(1,3-oxazolin-2-yl))-1-(4-bromophenyl)vinylamine
CID 672209
[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]methanamine
CID 155718667
(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
methyl (E)-2-amino-N-[1-(2-fluorophenyl)ethenyl]-3-methyl-5-propyloct-2-enimidate
CID 143824001
(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
2-methyl-4-phenyl-6H-1,3-oxazine
CID 139384710
2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine
CID 139716124
4-Benzylimino-1-methoxy-3-methylbut-2-en-2-amine
CID 149179096
1-[5,6-dimethyl-4-(3-methylphenyl)-6H-1,3-oxazin-2-yl]ethanamine
CID 155718614
1-Methoxy-4-(2-phenylethylimino)but-2-en-2-amine
CID 163780680

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(3-methylphenyl)ethenamine?
The IUPAC name of (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(3-methylphenyl)ethenamine (CID 10657101) is (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(3-methylphenyl)ethenamine.
What is the SMILES notation for (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(3-methylphenyl)ethenamine?
The canonical SMILES for (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(3-methylphenyl)ethenamine is Cc1cccc(/C(N)=C\C2=NC(C)(C)CO2)c1.
What is the InChIKey of (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(3-methylphenyl)ethenamine?
The InChIKey is NMDFISGMNFWJTD-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-5-4-6-11(7-10)12(15)8-13-16-14(2,3)9-17-13/h4-8H,9,15H2,1-3H3/b12-8+.
What are the key properties of (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(3-methylphenyl)ethenamine?
(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(3-methylphenyl)ethenamine has a molecular weight of 230.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(3-methylphenyl)ethenamine is sourced from PubChem (CID 10657101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).