(5R)-2-(4-methoxyphenyl)-5-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]-5-methyl-1,3-oxazol-4-one

C21H21NO4 — CID 154713579

IUPAC(5R)-2-(4-methoxyphenyl)-5-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]-5-methyl-1,3-oxazol-4-one
SMILESC=C[C@H](c1ccc(OC)cc1)[C@@]1(C)OC(c2ccc(OC)cc2)=NC1=O
InChIInChI=1S/C21H21NO4/c1-5-18(14-6-10-16(24-3)11-7-14)21(2)20(23)22-19(26-21)15-8-12-17(25-4)13-9-15/h5-13,18H,1H2,2-4H3/t18-,21-/m1/s1
InChIKeyDKWSEMZNLSHCGN-WIYYLYMNSA-N
MW351.40 g/mol
LogP3.74
Rot. Bonds6

About (5R)-2-(4-methoxyphenyl)-5-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]-5-methyl-1,3-oxazol-4-one

(5R)-2-(4-methoxyphenyl)-5-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]-5-methyl-1,3-oxazol-4-one (PubChem CID 154713579) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is (5R)-2-(4-methoxyphenyl)-5-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]-5-methyl-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5R)-2-(4-methoxyphenyl)-5-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]-5-methyl-1,3-oxazol-4-one
PubChem CID154713579
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name(5R)-2-(4-methoxyphenyl)-5-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]-5-methyl-1,3-oxazol-4-one
SMILESC=C[C@H](c1ccc(OC)cc1)[C@@]1(C)OC(c2ccc(OC)cc2)=NC1=O
InChIInChI=1S/C21H21NO4/c1-5-18(14-6-10-16(24-3)11-7-14)21(2)20(23)22-19(26-21)15-8-12-17(25-4)13-9-15/h5-13,18H,1H2,2-4H3/t18-,21-/m1/s1
InChIKeyDKWSEMZNLSHCGN-WIYYLYMNSA-N
XLogP3.74
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-Methoxyphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
CID 4189325
1-(4,5-Dihydro-1,3-oxazol-2-yl)-7-(4-phenylphenoxy)heptan-1-one
CID 44350633
(1R,3R)-1-(4-Methoxy-phenyl)-5-phenyl-6-oxa-4-aza-spiro[2.4]hept-4-en-7-one
CID 832360
(5R)-5-[(1R)-1-(3-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one
CID 154713580
(5R)-5-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one
CID 154714991
(5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-oxazol-4-one
CID 154714994
5-[(2,5-Diethoxyphenyl)methyl]-2-phenyl-1,3-oxazolin-4-one
CID 4315825
(2R)-2-(4-methoxyphenyl)-6-phenyl-5-oxa-7-azaspiro[2.4]hept-6-en-4-one
CID 504600
(4R)-4-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 29983134
(5R)-5-[(1S)-1-(2,4-dimethoxyphenyl)prop-2-enyl]-5-methyl-2-phenyl-1,3-oxazol-4-one
CID 101340930
(5R)-5-butyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one
CID 101340931
(4S)-4-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 101537589

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(4-methoxyphenyl)-5-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]-5-methyl-1,3-oxazol-4-one?
The IUPAC name of (5R)-2-(4-methoxyphenyl)-5-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]-5-methyl-1,3-oxazol-4-one (CID 154713579) is (5R)-2-(4-methoxyphenyl)-5-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]-5-methyl-1,3-oxazol-4-one.
What is the SMILES notation for (5R)-2-(4-methoxyphenyl)-5-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]-5-methyl-1,3-oxazol-4-one?
The canonical SMILES for (5R)-2-(4-methoxyphenyl)-5-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]-5-methyl-1,3-oxazol-4-one is C=C[C@H](c1ccc(OC)cc1)[C@@]1(C)OC(c2ccc(OC)cc2)=NC1=O.
What is the InChIKey of (5R)-2-(4-methoxyphenyl)-5-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]-5-methyl-1,3-oxazol-4-one?
The InChIKey is DKWSEMZNLSHCGN-WIYYLYMNSA-N. The full InChI is InChI=1S/C21H21NO4/c1-5-18(14-6-10-16(24-3)11-7-14)21(2)20(23)22-19(26-21)15-8-12-17(25-4)13-9-15/h5-13,18H,1H2,2-4H3/t18-,21-/m1/s1.
What are the key properties of (5R)-2-(4-methoxyphenyl)-5-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]-5-methyl-1,3-oxazol-4-one?
(5R)-2-(4-methoxyphenyl)-5-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]-5-methyl-1,3-oxazol-4-one has a molecular weight of 351.40 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(4-methoxyphenyl)-5-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]-5-methyl-1,3-oxazol-4-one is sourced from PubChem (CID 154713579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).