(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]prop-1-en-1-amine

C20H22N2O — CID 10590786

IUPAC(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]prop-1-en-1-amine
SMILESC/C(C1=NCCO1)=C(/N[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O/c1-15(20-21-13-14-23-20)19(18-11-7-4-8-12-18)22-16(2)17-9-5-3-6-10-17/h3-12,16,22H,13-14H2,1-2H3/b19-15-/t16-/m0/s1
InChIKeyNOCUBKAHLNWAAN-JQSQVVPISA-N
MW306.41 g/mol
LogP4.20
Rot. Bonds5

About (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]prop-1-en-1-amine

(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]prop-1-en-1-amine (PubChem CID 10590786) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]prop-1-en-1-amine
PubChem CID10590786
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]prop-1-en-1-amine
SMILESC/C(C1=NCCO1)=C(/N[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O/c1-15(20-21-13-14-23-20)19(18-11-7-4-8-12-18)22-16(2)17-9-5-3-6-10-17/h3-12,16,22H,13-14H2,1-2H3/b19-15-/t16-/m0/s1
InChIKeyNOCUBKAHLNWAAN-JQSQVVPISA-N
XLogP4.20
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
(E)-N-(2-methoxyethyl)-1,4-diphenylbut-3-en-1-amine
CID 134945910
(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)-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-(1-phenylethyl)ethenamine
CID 10637407
N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-enyl]aniline
CID 10660238
N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]cyclohexanamine
CID 10730783
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-(1-phenylethyl)prop-1-en-1-amine
CID 10828491
(E)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]ethenamine
CID 101087446

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]prop-1-en-1-amine?
The IUPAC name of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]prop-1-en-1-amine (CID 10590786) is (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]prop-1-en-1-amine?
The canonical SMILES for (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]prop-1-en-1-amine is C/C(C1=NCCO1)=C(/N[C@@H](C)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]prop-1-en-1-amine?
The InChIKey is NOCUBKAHLNWAAN-JQSQVVPISA-N. The full InChI is InChI=1S/C20H22N2O/c1-15(20-21-13-14-23-20)19(18-11-7-4-8-12-18)22-16(2)17-9-5-3-6-10-17/h3-12,16,22H,13-14H2,1-2H3/b19-15-/t16-/m0/s1.
What are the key properties of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]prop-1-en-1-amine?
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]prop-1-en-1-amine has a molecular weight of 306.41 g/mol, XLogP of 4.20, 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-phenyl-N-[(1S)-1-phenylethyl]prop-1-en-1-amine is sourced from PubChem (CID 10590786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).