(4R,5S)-2-[(4-ethoxyphenyl)methyl]-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole

C19H21NO2 — CID 15320023

IUPAC(4R,5S)-2-[(4-ethoxyphenyl)methyl]-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESCCOc1ccc(CC2=N[C@H](C)[C@H](c3ccccc3)O2)cc1
InChIInChI=1S/C19H21NO2/c1-3-21-17-11-9-15(10-12-17)13-18-20-14(2)19(22-18)16-7-5-4-6-8-16/h4-12,14,19H,3,13H2,1-2H3/t14-,19-/m1/s1
InChIKeyPXIJTYLQXRICQQ-AUUYWEPGSA-N
MW295.38 g/mol
LogP4.19
Rot. Bonds5

About (4R,5S)-2-[(4-ethoxyphenyl)methyl]-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole

(4R,5S)-2-[(4-ethoxyphenyl)methyl]-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 15320023) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (4R,5S)-2-[(4-ethoxyphenyl)methyl]-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R,5S)-2-[(4-ethoxyphenyl)methyl]-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID15320023
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(4R,5S)-2-[(4-ethoxyphenyl)methyl]-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESCCOc1ccc(CC2=N[C@H](C)[C@H](c3ccccc3)O2)cc1
InChIInChI=1S/C19H21NO2/c1-3-21-17-11-9-15(10-12-17)13-18-20-14(2)19(22-18)16-7-5-4-6-8-16/h4-12,14,19H,3,13H2,1-2H3/t14-,19-/m1/s1
InChIKeyPXIJTYLQXRICQQ-AUUYWEPGSA-N
XLogP4.19
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-phenyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 73120912
4-[(4-ethoxyphenyl)methyl]benzoic acid
CID 116927188
ethoxybenzene chloride
CID 21193593
1-ethoxy-4-[(4-propoxyphenyl)methyl]benzene
CID 21338136
ethoxybenzene;molecular iodine
CID 67763605
2-(4-ethoxyphenyl)-3-methylmorpholine
CID 82286594
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;methanamine
CID 145366496
ethoxybenzene;ethoxyethane
CID 67764259
(2S,3R,4S,5S,6R)-2-[3-[(4-ethoxyphenyl)methyl]phenyl]-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)thiane
CID 58239043
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-[(4-ethoxyphenyl)methyl]-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R,5S)-2-[(4-ethoxyphenyl)methyl]-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole (CID 15320023) is (4R,5S)-2-[(4-ethoxyphenyl)methyl]-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R,5S)-2-[(4-ethoxyphenyl)methyl]-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R,5S)-2-[(4-ethoxyphenyl)methyl]-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole is CCOc1ccc(CC2=N[C@H](C)[C@H](c3ccccc3)O2)cc1.
What is the InChIKey of (4R,5S)-2-[(4-ethoxyphenyl)methyl]-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is PXIJTYLQXRICQQ-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H21NO2/c1-3-21-17-11-9-15(10-12-17)13-18-20-14(2)19(22-18)16-7-5-4-6-8-16/h4-12,14,19H,3,13H2,1-2H3/t14-,19-/m1/s1.
What are the key properties of (4R,5S)-2-[(4-ethoxyphenyl)methyl]-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole?
(4R,5S)-2-[(4-ethoxyphenyl)methyl]-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 295.38 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-[(4-ethoxyphenyl)methyl]-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15320023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).