(5S)-5-[(2R)-but-3-en-2-yl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one

C15H17NO2 — CID 46211093

IUPAC(5S)-5-[(2R)-but-3-en-2-yl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H](C)[C@]1(C)OC(=O)N(c2ccccc2)C1=C
InChIInChI=1S/C15H17NO2/c1-5-11(2)15(4)12(3)16(14(17)18-15)13-9-7-6-8-10-13/h5-11H,1,3H2,2,4H3/t11-,15+/m1/s1
InChIKeyNLIXSNHANVRXQJ-ABAIWWIYSA-N
MW243.31 g/mol
LogP3.74
Rot. Bonds3

About (5S)-5-[(2R)-but-3-en-2-yl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one

(5S)-5-[(2R)-but-3-en-2-yl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 46211093) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (5S)-5-[(2R)-but-3-en-2-yl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(2R)-but-3-en-2-yl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one
PubChem CID46211093
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(5S)-5-[(2R)-but-3-en-2-yl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H](C)[C@]1(C)OC(=O)N(c2ccccc2)C1=C
InChIInChI=1S/C15H17NO2/c1-5-11(2)15(4)12(3)16(14(17)18-15)13-9-7-6-8-10-13/h5-11H,1,3H2,2,4H3/t11-,15+/m1/s1
InChIKeyNLIXSNHANVRXQJ-ABAIWWIYSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-4-methylidene-3-phenyl-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 46210936
(5R)-5-[(1S)-1-fluoroethyl]-5-methyl-3-phenyl-1,3-oxazolidine-2,4-dione
CID 139049260
5-[(Z)-but-2-enyl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one
CID 46210942
5-ethenyl-3,5-diphenyl-1,3-oxazolidine-2,4-dione
CID 168864617
4-methylidene-3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 3077245
4-hydroxy-5,5-dimethyl-3,4-diphenyl-1,3-oxazolidin-2-one
CID 12654053
3-phenyl-1-oxa-3-azaspiro[4.5]decane-2,4,8-trione
CID 15497951
1-(4-fluorophenyl)-4,4-dimethyl-3,1-benzoxazin-2-one
CID 141064356
(5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidin-5-yl)methyl acetate
CID 155926943
1-acetyl-2-but-3-en-2-yl-2-methylindol-3-one
CID 10847818
ethyl 5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidine-5-carboxylate
CID 20530498
5-(hydroxymethyl)-5-methyl-3-phenyl-1,3-oxazolidin-2-one
CID 115064715

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2R)-but-3-en-2-yl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[(2R)-but-3-en-2-yl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one (CID 46211093) is (5S)-5-[(2R)-but-3-en-2-yl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[(2R)-but-3-en-2-yl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[(2R)-but-3-en-2-yl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one is C=C[C@@H](C)[C@]1(C)OC(=O)N(c2ccccc2)C1=C.
What is the InChIKey of (5S)-5-[(2R)-but-3-en-2-yl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is NLIXSNHANVRXQJ-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-5-11(2)15(4)12(3)16(14(17)18-15)13-9-7-6-8-10-13/h5-11H,1,3H2,2,4H3/t11-,15+/m1/s1.
What are the key properties of (5S)-5-[(2R)-but-3-en-2-yl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one?
(5S)-5-[(2R)-but-3-en-2-yl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 243.31 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2R)-but-3-en-2-yl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 46211093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).