N-[(Z)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(4-methoxyphenyl)ethenyl]aniline

C26H26N2O3 — CID 10621723

IUPACN-[(Z)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(4-methoxyphenyl)ethenyl]aniline
SMILESCOC[C@@H]1N=C(/C=C(\Nc2ccccc2)c2ccc(OC)cc2)O[C@H]1c1ccccc1
InChIInChI=1S/C26H26N2O3/c1-29-18-24-26(20-9-5-3-6-10-20)31-25(28-24)17-23(27-21-11-7-4-8-12-21)19-13-15-22(30-2)16-14-19/h3-17,24,26-27H,18H2,1-2H3/b23-17-/t24-,26-/m0/s1
InChIKeyQHNRTDKCYOUMGP-OJNONVCRSA-N
MW414.51 g/mol
LogP5.33
Rot. Bonds8

About N-[(Z)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(4-methoxyphenyl)ethenyl]aniline

N-[(Z)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(4-methoxyphenyl)ethenyl]aniline (PubChem CID 10621723) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[(Z)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(4-methoxyphenyl)ethenyl]aniline.

Molecular Properties

Compound NameN-[(Z)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(4-methoxyphenyl)ethenyl]aniline
PubChem CID10621723
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-[(Z)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(4-methoxyphenyl)ethenyl]aniline
SMILESCOC[C@@H]1N=C(/C=C(\Nc2ccccc2)c2ccc(OC)cc2)O[C@H]1c1ccccc1
InChIInChI=1S/C26H26N2O3/c1-29-18-24-26(20-9-5-3-6-10-20)31-25(28-24)17-23(27-21-11-7-4-8-12-21)19-13-15-22(30-2)16-14-19/h3-17,24,26-27H,18H2,1-2H3/b23-17-/t24-,26-/m0/s1
InChIKeyQHNRTDKCYOUMGP-OJNONVCRSA-N
XLogP5.33
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N'-diphenyl-4-methoxybenzamidine
CID 467231
5-(4-Methoxyphenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole
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N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]aniline
CID 9836953
(R,S/S,R)-syn-1-(4-methoxyphenyl)-1-(methyl(phenyl)amino)-3-(methylamino)propan-2-ol
CID 24897689
N-(4-{[4-(benzyloxy)benzylidene]amino}phenyl)acetamide
CID 693499
4-[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]aniline
CID 4053529
(4-Methoxy-benzyl)-(4-morpholin-4-yl-phenyl)-amine
CID 2268617
1H-Pyrazole, 4,5-dihydro-3,5-bis(4-methoxyphenyl)-1-phenyl-
CID 3112967
3-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 5716922
4-[(2S)-morpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline
CID 68325652
N-[(4-methoxyphenyl)methyl]-4-[(2S)-morpholin-2-yl]aniline
CID 68325799
N-{[4-(benzyloxy)phenyl]methyl}aniline
CID 2462935

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(4-methoxyphenyl)ethenyl]aniline?
The IUPAC name of N-[(Z)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(4-methoxyphenyl)ethenyl]aniline (CID 10621723) is N-[(Z)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(4-methoxyphenyl)ethenyl]aniline.
What is the SMILES notation for N-[(Z)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(4-methoxyphenyl)ethenyl]aniline?
The canonical SMILES for N-[(Z)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(4-methoxyphenyl)ethenyl]aniline is COC[C@@H]1N=C(/C=C(\Nc2ccccc2)c2ccc(OC)cc2)O[C@H]1c1ccccc1.
What is the InChIKey of N-[(Z)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(4-methoxyphenyl)ethenyl]aniline?
The InChIKey is QHNRTDKCYOUMGP-OJNONVCRSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-29-18-24-26(20-9-5-3-6-10-20)31-25(28-24)17-23(27-21-11-7-4-8-12-21)19-13-15-22(30-2)16-14-19/h3-17,24,26-27H,18H2,1-2H3/b23-17-/t24-,26-/m0/s1.
What are the key properties of N-[(Z)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(4-methoxyphenyl)ethenyl]aniline?
N-[(Z)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(4-methoxyphenyl)ethenyl]aniline has a molecular weight of 414.51 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(4-methoxyphenyl)ethenyl]aniline is sourced from PubChem (CID 10621723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).