(4S)-4-[(1S)-1-(furan-2-yl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one

C17H15NO3 — CID 102582089

IUPAC(4S)-4-[(1S)-1-(furan-2-yl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
SMILESC=C[C@H](c1ccco1)[C@]1(C)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C17H15NO3/c1-3-13(14-10-7-11-20-14)17(2)16(19)21-15(18-17)12-8-5-4-6-9-12/h3-11,13H,1H2,2H3/t13-,17+/m1/s1
InChIKeyUYGWWAPWZDCBQA-DYVFJYSZSA-N
MW281.31 g/mol
LogP3.31
Rot. Bonds4

About (4S)-4-[(1S)-1-(furan-2-yl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one

(4S)-4-[(1S)-1-(furan-2-yl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one (PubChem CID 102582089) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is (4S)-4-[(1S)-1-(furan-2-yl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4S)-4-[(1S)-1-(furan-2-yl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
PubChem CID102582089
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name(4S)-4-[(1S)-1-(furan-2-yl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
SMILESC=C[C@H](c1ccco1)[C@]1(C)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C17H15NO3/c1-3-13(14-10-7-11-20-14)17(2)16(19)21-15(18-17)12-8-5-4-6-9-12/h3-11,13H,1H2,2H3/t13-,17+/m1/s1
InChIKeyUYGWWAPWZDCBQA-DYVFJYSZSA-N
XLogP3.31
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1S)-1-(furan-2-yl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4S)-4-[(1S)-1-(furan-2-yl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one (CID 102582089) is (4S)-4-[(1S)-1-(furan-2-yl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4S)-4-[(1S)-1-(furan-2-yl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4S)-4-[(1S)-1-(furan-2-yl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one is C=C[C@H](c1ccco1)[C@]1(C)N=C(c2ccccc2)OC1=O.
What is the InChIKey of (4S)-4-[(1S)-1-(furan-2-yl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one?
The InChIKey is UYGWWAPWZDCBQA-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H15NO3/c1-3-13(14-10-7-11-20-14)17(2)16(19)21-15(18-17)12-8-5-4-6-9-12/h3-11,13H,1H2,2H3/t13-,17+/m1/s1.
What are the key properties of (4S)-4-[(1S)-1-(furan-2-yl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one?
(4S)-4-[(1S)-1-(furan-2-yl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one has a molecular weight of 281.31 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1S)-1-(furan-2-yl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 102582089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).