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

C20H18ClNO3 — CID 154714992

IUPAC(5R)-5-[(1R)-1-(4-chlorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one
SMILESC=C[C@H](c1ccc(Cl)cc1)[C@@]1(C)OC(c2ccc(OC)cc2)=NC1=O
InChIInChI=1S/C20H18ClNO3/c1-4-17(13-5-9-15(21)10-6-13)20(2)19(23)22-18(25-20)14-7-11-16(24-3)12-8-14/h4-12,17H,1H2,2-3H3/t17-,20-/m1/s1
InChIKeyODYMFPHLZNDFKA-YLJYHZDGSA-N
MW355.82 g/mol
LogP4.38
Rot. Bonds5

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

(5R)-5-[(1R)-1-(4-chlorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one (PubChem CID 154714992) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is (5R)-5-[(1R)-1-(4-chlorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5R)-5-[(1R)-1-(4-chlorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one
PubChem CID154714992
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Name(5R)-5-[(1R)-1-(4-chlorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one
SMILESC=C[C@H](c1ccc(Cl)cc1)[C@@]1(C)OC(c2ccc(OC)cc2)=NC1=O
InChIInChI=1S/C20H18ClNO3/c1-4-17(13-5-9-15(21)10-6-13)20(2)19(23)22-18(25-20)14-7-11-16(24-3)12-8-14/h4-12,17H,1H2,2-3H3/t17-,20-/m1/s1
InChIKeyODYMFPHLZNDFKA-YLJYHZDGSA-N
XLogP4.38
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 54.38
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

Pentanamide, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methyl-, (+-)-
CID 3054648
(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
4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one
CID 134901916
(5R)-5-ethyl-5-[(1R)-3-hydroxy-1-phenylpropyl]-2-(4-methoxyphenyl)-1,3-oxazol-4-one
CID 134949883
(5R)-2-(4-methoxyphenyl)-5-methyl-5-[(1R)-1-(4-methylphenyl)prop-2-enyl]-1,3-oxazol-4-one
CID 154713578
(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-bromophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one
CID 154714993
(5R)-5-[(1R)-1-(3,4-dichlorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one
CID 154714995
4-[(4-Chlorophenyl)methyl]-2-(4-methoxyphenyl)-4-phenylselanyl-1,3-oxazol-5-one
CID 164676128
(R)-2-(4-methoxyphenyl)-5-phenyl-5-propyloxazol-4(5H)-one
CID 171341361

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1R)-1-(4-chlorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one?
The IUPAC name of (5R)-5-[(1R)-1-(4-chlorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one (CID 154714992) is (5R)-5-[(1R)-1-(4-chlorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one.
What is the SMILES notation for (5R)-5-[(1R)-1-(4-chlorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one?
The canonical SMILES for (5R)-5-[(1R)-1-(4-chlorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one is C=C[C@H](c1ccc(Cl)cc1)[C@@]1(C)OC(c2ccc(OC)cc2)=NC1=O.
What is the InChIKey of (5R)-5-[(1R)-1-(4-chlorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one?
The InChIKey is ODYMFPHLZNDFKA-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H18ClNO3/c1-4-17(13-5-9-15(21)10-6-13)20(2)19(23)22-18(25-20)14-7-11-16(24-3)12-8-14/h4-12,17H,1H2,2-3H3/t17-,20-/m1/s1.
What are the key properties of (5R)-5-[(1R)-1-(4-chlorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one?
(5R)-5-[(1R)-1-(4-chlorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one has a molecular weight of 355.82 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1R)-1-(4-chlorophenyl)prop-2-enyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-one is sourced from PubChem (CID 154714992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).