(4R,5S)-4-methyl-3-[(Z)-[(2S)-3-methyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-5-phenyl-1,3-oxazolidin-2-one

C24H25NO2 — CID 139043010

IUPAC(4R,5S)-4-methyl-3-[(Z)-[(2S)-3-methyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-5-phenyl-1,3-oxazolidin-2-one
SMILESCC1=CCC/C(=C/N2C(=O)O[C@@H](c3ccccc3)[C@H]2C)[C@@H]1c1ccccc1
InChIInChI=1S/C24H25NO2/c1-17-10-9-15-21(22(17)19-11-5-3-6-12-19)16-25-18(2)23(27-24(25)26)20-13-7-4-8-14-20/h3-8,10-14,16,18,22-23H,9,15H2,1-2H3/b21-16-/t18-,22+,23-/m1/s1
InChIKeyMVMMSRURUKZLAY-FRVQJYMLSA-N
MW359.47 g/mol
LogP5.98
Rot. Bonds3

About (4R,5S)-4-methyl-3-[(Z)-[(2S)-3-methyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-5-phenyl-1,3-oxazolidin-2-one

(4R,5S)-4-methyl-3-[(Z)-[(2S)-3-methyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 139043010) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (4R,5S)-4-methyl-3-[(Z)-[(2S)-3-methyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-methyl-3-[(Z)-[(2S)-3-methyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-5-phenyl-1,3-oxazolidin-2-one
PubChem CID139043010
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name(4R,5S)-4-methyl-3-[(Z)-[(2S)-3-methyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-5-phenyl-1,3-oxazolidin-2-one
SMILESCC1=CCC/C(=C/N2C(=O)O[C@@H](c3ccccc3)[C@H]2C)[C@@H]1c1ccccc1
InChIInChI=1S/C24H25NO2/c1-17-10-9-15-21(22(17)19-11-5-3-6-12-19)16-25-18(2)23(27-24(25)26)20-13-7-4-8-14-20/h3-8,10-14,16,18,22-23H,9,15H2,1-2H3/b21-16-/t18-,22+,23-/m1/s1
InChIKeyMVMMSRURUKZLAY-FRVQJYMLSA-N
XLogP5.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4R,5S)-4-methyl-3-[(Z)-[(2S)-3-methyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-4-methyl-3-[(Z)-[(2S)-3-methyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-5-phenyl-1,3-oxazolidin-2-one (CID 139043010) is (4R,5S)-4-methyl-3-[(Z)-[(2S)-3-methyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-4-methyl-3-[(Z)-[(2S)-3-methyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-4-methyl-3-[(Z)-[(2S)-3-methyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-5-phenyl-1,3-oxazolidin-2-one is CC1=CCC/C(=C/N2C(=O)O[C@@H](c3ccccc3)[C@H]2C)[C@@H]1c1ccccc1.
What is the InChIKey of (4R,5S)-4-methyl-3-[(Z)-[(2S)-3-methyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is MVMMSRURUKZLAY-FRVQJYMLSA-N. The full InChI is InChI=1S/C24H25NO2/c1-17-10-9-15-21(22(17)19-11-5-3-6-12-19)16-25-18(2)23(27-24(25)26)20-13-7-4-8-14-20/h3-8,10-14,16,18,22-23H,9,15H2,1-2H3/b21-16-/t18-,22+,23-/m1/s1.
What are the key properties of (4R,5S)-4-methyl-3-[(Z)-[(2S)-3-methyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-5-phenyl-1,3-oxazolidin-2-one?
(4R,5S)-4-methyl-3-[(Z)-[(2S)-3-methyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 359.47 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-methyl-3-[(Z)-[(2S)-3-methyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 139043010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).