N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]-1-(4-methylphenyl)ethenamine

C15H18N2O — CID 177319787

IUPACN-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]-1-(4-methylphenyl)ethenamine
SMILESC=C(NCCc1cnc(C)o1)c1ccc(C)cc1
InChIInChI=1S/C15H18N2O/c1-11-4-6-14(7-5-11)12(2)16-9-8-15-10-17-13(3)18-15/h4-7,10,16H,2,8-9H2,1,3H3
InChIKeyVOCWWVNBYYHGOW-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.09
Rot. Bonds5

About N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]-1-(4-methylphenyl)ethenamine

N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]-1-(4-methylphenyl)ethenamine (PubChem CID 177319787) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]-1-(4-methylphenyl)ethenamine.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]-1-(4-methylphenyl)ethenamine
PubChem CID177319787
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]-1-(4-methylphenyl)ethenamine
SMILESC=C(NCCc1cnc(C)o1)c1ccc(C)cc1
InChIInChI=1S/C15H18N2O/c1-11-4-6-14(7-5-11)12(2)16-9-8-15-10-17-13(3)18-15/h4-7,10,16H,2,8-9H2,1,3H3
InChIKeyVOCWWVNBYYHGOW-UHFFFAOYSA-N
XLogP3.09
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylphenyl)ethenyl]-N',N'-dipropylethane-1,2-diamine
CID 143144030
N-methyl-2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-5-yl]ethanamine
CID 115006501
2-(2-chlorophenyl)-6,8-dimethyl-N-[5-[2-(2-methyl-1,3-oxazol-5-yl)ethylcarbamoyl]-2-pyridinyl]quinoline-4-carboxamide
CID 177319702
4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537604
2-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxamide
CID 110702169
methyl N-[(2-methyl-1,3-oxazol-5-yl)methyl]carbamate
CID 130987233
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
3-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187177
N-methoxy-1-(4-methylphenyl)ethenamine
CID 56975753
1-methyl-4-prop-1-en-2-ylbenzene
CID 90700010
N-[1-(4-methylphenyl)ethenyl]heptan-4-amine
CID 166131643
4-methyl-N-[2-(5-methylpyrimidin-2-yl)oxyethyl]benzamide;molecular hydrogen
CID 162753020

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]-1-(4-methylphenyl)ethenamine?
The IUPAC name of N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]-1-(4-methylphenyl)ethenamine (CID 177319787) is N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]-1-(4-methylphenyl)ethenamine.
What is the SMILES notation for N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]-1-(4-methylphenyl)ethenamine?
The canonical SMILES for N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]-1-(4-methylphenyl)ethenamine is C=C(NCCc1cnc(C)o1)c1ccc(C)cc1.
What is the InChIKey of N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]-1-(4-methylphenyl)ethenamine?
The InChIKey is VOCWWVNBYYHGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-4-6-14(7-5-11)12(2)16-9-8-15-10-17-13(3)18-15/h4-7,10,16H,2,8-9H2,1,3H3.
What are the key properties of N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]-1-(4-methylphenyl)ethenamine?
N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]-1-(4-methylphenyl)ethenamine has a molecular weight of 242.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]-1-(4-methylphenyl)ethenamine is sourced from PubChem (CID 177319787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).