(4R,5R)-2-(3-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole

C22H19NO2 — CID 102576070

IUPAC(4R,5R)-2-(3-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
SMILESCOc1cccc(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)c1
InChIInChI=1S/C22H19NO2/c1-24-19-14-8-13-18(15-19)22-23-20(16-9-4-2-5-10-16)21(25-22)17-11-6-3-7-12-17/h2-15,20-21H,1H3/t20-,21-/m1/s1
InChIKeyGJOHKDUJMLYCGA-NHCUHLMSSA-N
MW329.40 g/mol
LogP4.95
Rot. Bonds4

About (4R,5R)-2-(3-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole

(4R,5R)-2-(3-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole (PubChem CID 102576070) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (4R,5R)-2-(3-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R,5R)-2-(3-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
PubChem CID102576070
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name(4R,5R)-2-(3-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
SMILESCOc1cccc(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)c1
InChIInChI=1S/C22H19NO2/c1-24-19-14-8-13-18(15-19)22-23-20(16-9-4-2-5-10-16)21(25-22)17-11-6-3-7-12-17/h2-15,20-21H,1H3/t20-,21-/m1/s1
InChIKeyGJOHKDUJMLYCGA-NHCUHLMSSA-N
XLogP4.95
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R)-4,5-diphenyl-2-(3-prop-2-enoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 102431667
(4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 102576068
(4R)-5-(3-methoxyphenyl)-2-[[(4R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide
CID 173021286
(4S,5S)-5-methyl-2,4-diphenyl-4,5-dihydro-1,3-oxazole
CID 13191729
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
(4S,5S)-5-(bromomethyl)-4-ethenyl-2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 135045110
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
methyl (4S,5S)-2-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 14923484
(4S,5S)-4-(methoxymethyl)-5-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole
CID 10869276
4-(3-methoxyphenyl)-1,3-diphenylpyrazole
CID 166447646
2-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,3-oxazol-5-one
CID 102288044

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-(3-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R,5R)-2-(3-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole (CID 102576070) is (4R,5R)-2-(3-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R,5R)-2-(3-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R,5R)-2-(3-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole is COc1cccc(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)c1.
What is the InChIKey of (4R,5R)-2-(3-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is GJOHKDUJMLYCGA-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H19NO2/c1-24-19-14-8-13-18(15-19)22-23-20(16-9-4-2-5-10-16)21(25-22)17-11-6-3-7-12-17/h2-15,20-21H,1H3/t20-,21-/m1/s1.
What are the key properties of (4R,5R)-2-(3-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
(4R,5R)-2-(3-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 329.40 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-(3-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102576070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).