N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]cyclohexanamine

C17H22N2O — CID 10730783

IUPACN-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]cyclohexanamine
SMILESC(\C1=NCCO1)=C(\NC1CCCCC1)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-3-7-14(8-4-1)16(13-17-18-11-12-20-17)19-15-9-5-2-6-10-15/h1,3-4,7-8,13,15,19H,2,5-6,9-12H2/b16-13-
InChIKeyIJPWLUPYHJLFQI-SSZFMOIBSA-N
MW270.38 g/mol
LogP3.38
Rot. Bonds4

About N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]cyclohexanamine

N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]cyclohexanamine (PubChem CID 10730783) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]cyclohexanamine
PubChem CID10730783
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]cyclohexanamine
SMILESC(\C1=NCCO1)=C(\NC1CCCCC1)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-3-7-14(8-4-1)16(13-17-18-11-12-20-17)19-15-9-5-2-6-10-15/h1,3-4,7-8,13,15,19H,2,5-6,9-12H2/b16-13-
InChIKeyIJPWLUPYHJLFQI-SSZFMOIBSA-N
XLogP3.38
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]methanamine
CID 155718667
(1S)-1-[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]ethanamine
CID 163490539
N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline
CID 10778030
[(Z)-3-(benzylamino)-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide
CID 134867562
(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-(1-phenylethyl)prop-1-en-2-amine
CID 10850598
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethenamine
CID 15421797
(Z)-3-chloro-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3-difluoro-N-[(1S)-1-phenylethyl]prop-1-en-2-amine
CID 101112396
(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1R)-1-phenylethyl]prop-1-en-2-amine
CID 102061812
(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1S)-1-phenylethyl]prop-1-en-2-amine
CID 102061813
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]prop-1-en-1-amine
CID 10590786
N-[(Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethenyl]aniline
CID 10613607
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-(1-phenylethyl)ethenamine
CID 10637407

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]cyclohexanamine?
The IUPAC name of N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]cyclohexanamine (CID 10730783) is N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]cyclohexanamine.
What is the SMILES notation for N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]cyclohexanamine?
The canonical SMILES for N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]cyclohexanamine is C(\C1=NCCO1)=C(\NC1CCCCC1)c1ccccc1.
What is the InChIKey of N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]cyclohexanamine?
The InChIKey is IJPWLUPYHJLFQI-SSZFMOIBSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-7-14(8-4-1)16(13-17-18-11-12-20-17)19-15-9-5-2-6-10-15/h1,3-4,7-8,13,15,19H,2,5-6,9-12H2/b16-13-.
What are the key properties of N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]cyclohexanamine?
N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]cyclohexanamine has a molecular weight of 270.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]cyclohexanamine is sourced from PubChem (CID 10730783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).