(4S,5R)-3-[(1S,2R,3R)-3-hydroxy-2-methoxy-2-methyl-3-prop-2-enylcyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one

C24H27NO4 — CID 15505443

IUPAC(4S,5R)-3-[(1S,2R,3R)-3-hydroxy-2-methoxy-2-methyl-3-prop-2-enylcyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESC=CC[C@@]1(O)C[C@H](N2C(=O)O[C@H](c3ccccc3)[C@@H]2c2ccccc2)[C@@]1(C)OC
InChIInChI=1S/C24H27NO4/c1-4-15-24(27)16-19(23(24,2)28-3)25-20(17-11-7-5-8-12-17)21(29-22(25)26)18-13-9-6-10-14-18/h4-14,19-21,27H,1,15-16H2,2-3H3/t19-,20-,21+,23+,24+/m0/s1
InChIKeyKDPNUPANQGBJDC-BRUFLCKMSA-N
MW393.48 g/mol
LogP4.41
Rot. Bonds6

About (4S,5R)-3-[(1S,2R,3R)-3-hydroxy-2-methoxy-2-methyl-3-prop-2-enylcyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one

(4S,5R)-3-[(1S,2R,3R)-3-hydroxy-2-methoxy-2-methyl-3-prop-2-enylcyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one (PubChem CID 15505443) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is (4S,5R)-3-[(1S,2R,3R)-3-hydroxy-2-methoxy-2-methyl-3-prop-2-enylcyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-[(1S,2R,3R)-3-hydroxy-2-methoxy-2-methyl-3-prop-2-enylcyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one
PubChem CID15505443
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name(4S,5R)-3-[(1S,2R,3R)-3-hydroxy-2-methoxy-2-methyl-3-prop-2-enylcyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESC=CC[C@@]1(O)C[C@H](N2C(=O)O[C@H](c3ccccc3)[C@@H]2c2ccccc2)[C@@]1(C)OC
InChIInChI=1S/C24H27NO4/c1-4-15-24(27)16-19(23(24,2)28-3)25-20(17-11-7-5-8-12-17)21(29-22(25)26)18-13-9-6-10-14-18/h4-14,19-21,27H,1,15-16H2,2-3H3/t19-,20-,21+,23+,24+/m0/s1
InChIKeyKDPNUPANQGBJDC-BRUFLCKMSA-N
XLogP4.41
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
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,5R)-3-[(1S,2R,3R)-3-hydroxy-2-methoxy-2-methyl-3-prop-2-enylcyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-[(1S,2R,3R)-3-hydroxy-2-methoxy-2-methyl-3-prop-2-enylcyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one (CID 15505443) is (4S,5R)-3-[(1S,2R,3R)-3-hydroxy-2-methoxy-2-methyl-3-prop-2-enylcyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-[(1S,2R,3R)-3-hydroxy-2-methoxy-2-methyl-3-prop-2-enylcyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-[(1S,2R,3R)-3-hydroxy-2-methoxy-2-methyl-3-prop-2-enylcyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one is C=CC[C@@]1(O)C[C@H](N2C(=O)O[C@H](c3ccccc3)[C@@H]2c2ccccc2)[C@@]1(C)OC.
What is the InChIKey of (4S,5R)-3-[(1S,2R,3R)-3-hydroxy-2-methoxy-2-methyl-3-prop-2-enylcyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is KDPNUPANQGBJDC-BRUFLCKMSA-N. The full InChI is InChI=1S/C24H27NO4/c1-4-15-24(27)16-19(23(24,2)28-3)25-20(17-11-7-5-8-12-17)21(29-22(25)26)18-13-9-6-10-14-18/h4-14,19-21,27H,1,15-16H2,2-3H3/t19-,20-,21+,23+,24+/m0/s1.
What are the key properties of (4S,5R)-3-[(1S,2R,3R)-3-hydroxy-2-methoxy-2-methyl-3-prop-2-enylcyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
(4S,5R)-3-[(1S,2R,3R)-3-hydroxy-2-methoxy-2-methyl-3-prop-2-enylcyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 393.48 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-[(1S,2R,3R)-3-hydroxy-2-methoxy-2-methyl-3-prop-2-enylcyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15505443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).