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

C21H21NO3 — CID 154713578

IUPAC(5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-(4-methylphenyl)prop-2-enyl]-1,3-oxazol-4-one
SMILESC=C[C@H](c1ccc(C)cc1)[C@@]1(C)OC(c2ccc(OC)cc2)=NC1=O
InChIInChI=1S/C21H21NO3/c1-5-18(15-8-6-14(2)7-9-15)21(3)20(23)22-19(25-21)16-10-12-17(24-4)13-11-16/h5-13,18H,1H2,2-4H3/t18-,21-/m1/s1
InChIKeyFCUWNXDGYKCIET-WIYYLYMNSA-N
MW335.40 g/mol
LogP4.04
Rot. Bonds5

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

(5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-(4-methylphenyl)prop-2-enyl]-1,3-oxazol-4-one (PubChem CID 154713578) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is (5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-(4-methylphenyl)prop-2-enyl]-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-(4-methylphenyl)prop-2-enyl]-1,3-oxazol-4-one
PubChem CID154713578
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name(5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-(4-methylphenyl)prop-2-enyl]-1,3-oxazol-4-one
SMILESC=C[C@H](c1ccc(C)cc1)[C@@]1(C)OC(c2ccc(OC)cc2)=NC1=O
InChIInChI=1S/C21H21NO3/c1-5-18(15-8-6-14(2)7-9-15)21(3)20(23)22-19(25-21)16-10-12-17(24-4)13-11-16/h5-13,18H,1H2,2-4H3/t18-,21-/m1/s1
InChIKeyFCUWNXDGYKCIET-WIYYLYMNSA-N
XLogP4.04
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(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
(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
(5R)-5-ethyl-5-[(1R)-3-hydroxy-1-phenylpropyl]-2-(4-methoxyphenyl)-1,3-oxazol-4-one
CID 134949883
(5R)-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-5-propan-2-yl-1,3-oxazol-4-one
CID 138969922
(5R)-2-(4-methoxyphenyl)-5-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]-5-methyl-1,3-oxazol-4-one
CID 154713579
(5R)-5-[(1R)-1-(4-chlorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one
CID 154714992
(5R)-5-[(1R)-1-(4-bromophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one
CID 154714993

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-(4-methylphenyl)prop-2-enyl]-1,3-oxazol-4-one?
The IUPAC name of (5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-(4-methylphenyl)prop-2-enyl]-1,3-oxazol-4-one (CID 154713578) is (5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-(4-methylphenyl)prop-2-enyl]-1,3-oxazol-4-one.
What is the SMILES notation for (5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-(4-methylphenyl)prop-2-enyl]-1,3-oxazol-4-one?
The canonical SMILES for (5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-(4-methylphenyl)prop-2-enyl]-1,3-oxazol-4-one is C=C[C@H](c1ccc(C)cc1)[C@@]1(C)OC(c2ccc(OC)cc2)=NC1=O.
What is the InChIKey of (5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-(4-methylphenyl)prop-2-enyl]-1,3-oxazol-4-one?
The InChIKey is FCUWNXDGYKCIET-WIYYLYMNSA-N. The full InChI is InChI=1S/C21H21NO3/c1-5-18(15-8-6-14(2)7-9-15)21(3)20(23)22-19(25-21)16-10-12-17(24-4)13-11-16/h5-13,18H,1H2,2-4H3/t18-,21-/m1/s1.
What are the key properties of (5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-(4-methylphenyl)prop-2-enyl]-1,3-oxazol-4-one?
(5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-(4-methylphenyl)prop-2-enyl]-1,3-oxazol-4-one has a molecular weight of 335.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-(4-methylphenyl)prop-2-enyl]-1,3-oxazol-4-one is sourced from PubChem (CID 154713578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).