(4Z)-3-benzoyl-4-benzylidene-5,5-dimethyl-1,3-oxazolidin-2-one

C19H17NO3 — CID 57343335

IUPAC(4Z)-3-benzoyl-4-benzylidene-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(C(=O)c2ccccc2)/C1=C\c1ccccc1
InChIInChI=1S/C19H17NO3/c1-19(2)16(13-14-9-5-3-6-10-14)20(18(22)23-19)17(21)15-11-7-4-8-12-15/h3-13H,1-2H3/b16-13-
InChIKeyFVJHNIXSZWIPHF-SSZFMOIBSA-N
MW307.35 g/mol
LogP4.10
Rot. Bonds2

About (4Z)-3-benzoyl-4-benzylidene-5,5-dimethyl-1,3-oxazolidin-2-one

(4Z)-3-benzoyl-4-benzylidene-5,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 57343335) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (4Z)-3-benzoyl-4-benzylidene-5,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4Z)-3-benzoyl-4-benzylidene-5,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID57343335
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name(4Z)-3-benzoyl-4-benzylidene-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(C(=O)c2ccccc2)/C1=C\c1ccccc1
InChIInChI=1S/C19H17NO3/c1-19(2)16(13-14-9-5-3-6-10-14)20(18(22)23-19)17(21)15-11-7-4-8-12-15/h3-13H,1-2H3/b16-13-
InChIKeyFVJHNIXSZWIPHF-SSZFMOIBSA-N
XLogP4.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4Z)-3-benzoyl-4-benzylidene-5,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4Z)-3-benzoyl-4-benzylidene-5,5-dimethyl-1,3-oxazolidin-2-one (CID 57343335) is (4Z)-3-benzoyl-4-benzylidene-5,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4Z)-3-benzoyl-4-benzylidene-5,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4Z)-3-benzoyl-4-benzylidene-5,5-dimethyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(C(=O)c2ccccc2)/C1=C\c1ccccc1.
What is the InChIKey of (4Z)-3-benzoyl-4-benzylidene-5,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is FVJHNIXSZWIPHF-SSZFMOIBSA-N. The full InChI is InChI=1S/C19H17NO3/c1-19(2)16(13-14-9-5-3-6-10-14)20(18(22)23-19)17(21)15-11-7-4-8-12-15/h3-13H,1-2H3/b16-13-.
What are the key properties of (4Z)-3-benzoyl-4-benzylidene-5,5-dimethyl-1,3-oxazolidin-2-one?
(4Z)-3-benzoyl-4-benzylidene-5,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 307.35 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-benzoyl-4-benzylidene-5,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 57343335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).