(4S)-5,5-diphenyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one

C21H23NO3 — CID 10871449

IUPAC(4S)-5,5-diphenyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1C(=O)OC(c2ccccc2)(c2ccccc2)[C@@H]1C(C)C
InChIInChI=1S/C21H23NO3/c1-4-18(23)22-19(15(2)3)21(25-20(22)24,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,19H,4H2,1-3H3/t19-/m0/s1
InChIKeyRQFKFTFTDKLVMZ-IBGZPJMESA-N
MW337.42 g/mol
LogP4.34
Rot. Bonds4

About (4S)-5,5-diphenyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-5,5-diphenyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10871449) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (4S)-5,5-diphenyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-5,5-diphenyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10871449
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name(4S)-5,5-diphenyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1C(=O)OC(c2ccccc2)(c2ccccc2)[C@@H]1C(C)C
InChIInChI=1S/C21H23NO3/c1-4-18(23)22-19(15(2)3)21(25-20(22)24,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,19H,4H2,1-3H3/t19-/m0/s1
InChIKeyRQFKFTFTDKLVMZ-IBGZPJMESA-N
XLogP4.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-diphenyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-5,5-diphenyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10871449) is (4S)-5,5-diphenyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-5,5-diphenyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-5,5-diphenyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one is CCC(=O)N1C(=O)OC(c2ccccc2)(c2ccccc2)[C@@H]1C(C)C.
What is the InChIKey of (4S)-5,5-diphenyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is RQFKFTFTDKLVMZ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23NO3/c1-4-18(23)22-19(15(2)3)21(25-20(22)24,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,19H,4H2,1-3H3/t19-/m0/s1.
What are the key properties of (4S)-5,5-diphenyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-5,5-diphenyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 337.42 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-diphenyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10871449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).