(5R)-2,5-diphenyl-5-propan-2-yl-1,3-oxazol-4-one

C18H17NO2 — CID 171341368

IUPAC(5R)-2,5-diphenyl-5-propan-2-yl-1,3-oxazol-4-one
SMILESCC(C)[C@]1(c2ccccc2)OC(c2ccccc2)=NC1=O
InChIInChI=1S/C18H17NO2/c1-13(2)18(15-11-7-4-8-12-15)17(20)19-16(21-18)14-9-5-3-6-10-14/h3-13H,1-2H3/t18-/m1/s1
InChIKeyYIXJFOAQKFEGRG-GOSISDBHSA-N
MW279.34 g/mol
LogP3.54
Rot. Bonds3

About (5R)-2,5-diphenyl-5-propan-2-yl-1,3-oxazol-4-one

(5R)-2,5-diphenyl-5-propan-2-yl-1,3-oxazol-4-one (PubChem CID 171341368) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (5R)-2,5-diphenyl-5-propan-2-yl-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5R)-2,5-diphenyl-5-propan-2-yl-1,3-oxazol-4-one
PubChem CID171341368
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(5R)-2,5-diphenyl-5-propan-2-yl-1,3-oxazol-4-one
SMILESCC(C)[C@]1(c2ccccc2)OC(c2ccccc2)=NC1=O
InChIInChI=1S/C18H17NO2/c1-13(2)18(15-11-7-4-8-12-15)17(20)19-16(21-18)14-9-5-3-6-10-14/h3-13H,1-2H3/t18-/m1/s1
InChIKeyYIXJFOAQKFEGRG-GOSISDBHSA-N
XLogP3.54
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-methyl-2-phenyl-5-phenylsulfanyl-1,3-oxazol-4-one
CID 122206090
[(1S)-1-[(5R)-5-butyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]-2-methylpropyl] acetate
CID 135006203
4-(2,4-diphenyl-3,1-benzoxazin-4-yl)butan-2-one
CID 162416101
(4Z)-4-(2-methylpropylidene)-2-phenyl-1,3-oxazol-5-one
CID 5369550
(5R)-5-[(S)-(diphenylphosphorylamino)-(4-methylphenyl)methyl]-5-(2-methylpropyl)-2-phenyl-1,3-oxazol-4-one
CID 102293777
4-(4-methyl-2-phenyl-3,1-benzoxazin-4-yl)butan-2-one
CID 162415804
(4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one
CID 58657938
sodium 5-ethyl-4-oxo-5-phenyl-1,3-oxazol-2-olate
CID 23686614
(5R)-2-(3-fluorophenyl)-5-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,3-oxazol-4-one
CID 122400821
(4R)-2,4-diphenyl-4-(2,2,2-trifluoroethyl)-3,1-benzoxazine;(4S)-2,4-diphenyl-4-(2,2,2-trifluoroethyl)-3,1-benzoxazine
CID 139192178
(4S)-2,4-diphenyl-4-(2,2,2-trifluoroethyl)-3,1-benzoxazine
CID 139192180
2-(5-oxo-2,3-diphenylfuran-2-yl)butanoate
CID 57374963

Frequently Asked Questions

What is the IUPAC name of (5R)-2,5-diphenyl-5-propan-2-yl-1,3-oxazol-4-one?
The IUPAC name of (5R)-2,5-diphenyl-5-propan-2-yl-1,3-oxazol-4-one (CID 171341368) is (5R)-2,5-diphenyl-5-propan-2-yl-1,3-oxazol-4-one.
What is the SMILES notation for (5R)-2,5-diphenyl-5-propan-2-yl-1,3-oxazol-4-one?
The canonical SMILES for (5R)-2,5-diphenyl-5-propan-2-yl-1,3-oxazol-4-one is CC(C)[C@]1(c2ccccc2)OC(c2ccccc2)=NC1=O.
What is the InChIKey of (5R)-2,5-diphenyl-5-propan-2-yl-1,3-oxazol-4-one?
The InChIKey is YIXJFOAQKFEGRG-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13(2)18(15-11-7-4-8-12-15)17(20)19-16(21-18)14-9-5-3-6-10-14/h3-13H,1-2H3/t18-/m1/s1.
What are the key properties of (5R)-2,5-diphenyl-5-propan-2-yl-1,3-oxazol-4-one?
(5R)-2,5-diphenyl-5-propan-2-yl-1,3-oxazol-4-one has a molecular weight of 279.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,5-diphenyl-5-propan-2-yl-1,3-oxazol-4-one is sourced from PubChem (CID 171341368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).