(4S)-3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one

C22H17NO3 — CID 170696027

IUPAC(4S)-3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1cccc2ccccc12)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C22H17NO3/c24-21(14-13-17-11-6-10-16-7-4-5-12-19(16)17)23-20(15-26-22(23)25)18-8-2-1-3-9-18/h1-14,20H,15H2/b14-13+/t20-/m1/s1
InChIKeyBOOZGURFCHZJKZ-FBRRREGBSA-N
MW343.38 g/mol
LogP4.57
Rot. Bonds3

About (4S)-3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 170696027) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is (4S)-3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID170696027
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name(4S)-3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1cccc2ccccc12)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C22H17NO3/c24-21(14-13-17-11-6-10-16-7-4-5-12-19(16)17)23-20(15-26-22(23)25)18-8-2-1-3-9-18/h1-14,20H,15H2/b14-13+/t20-/m1/s1
InChIKeyBOOZGURFCHZJKZ-FBRRREGBSA-N
XLogP4.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4S)-3-[(E)-3-(2-chloroquinolin-4-yl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 170696049
3-[(E)-3-(1-benzylindol-3-yl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 6116601
3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 175509313
3-[(E)-3-(2-phenoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 175348980
(4R)-3-[(E)-3-(3-iodophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 167227898
3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 22912437
(4R)-3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10848742
3-[3-(4-fluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 72797044
(4S)-3-[(E)-hex-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101031105
3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;ethane
CID 144871050
(4R)-4-phenyl-3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one
CID 68991695
(4R)-3-(2-cyclopentylideneacetyl)-4-phenyl-1,3-oxazolidin-2-one
CID 134866525

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 170696027) is (4S)-3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one is O=C(/C=C/c1cccc2ccccc12)N1C(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is BOOZGURFCHZJKZ-FBRRREGBSA-N. The full InChI is InChI=1S/C22H17NO3/c24-21(14-13-17-11-6-10-16-7-4-5-12-19(16)17)23-20(15-26-22(23)25)18-8-2-1-3-9-18/h1-14,20H,15H2/b14-13+/t20-/m1/s1.
What are the key properties of (4S)-3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 343.38 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 170696027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).