(5R)-3-benzyl-5-[(1Z)-1-cyclohexyl-4-cyclopentylidene-3-phenylbuta-1,3-dien-2-yl]-1,3-oxazolidin-2-one

C31H35NO2 — CID 71818948

IUPAC(5R)-3-benzyl-5-[(1Z)-1-cyclohexyl-4-cyclopentylidene-3-phenylbuta-1,3-dien-2-yl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](/C(=C\C2CCCCC2)C(=C=C2CCCC2)c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C31H35NO2/c33-31-32(22-26-16-6-2-7-17-26)23-30(34-31)29(21-25-12-4-1-5-13-25)28(20-24-14-10-11-15-24)27-18-8-3-9-19-27/h2-3,6-9,16-19,21,25,30H,1,4-5,10-15,22-23H2/b29-21-/t30-/m0/s1
InChIKeyMPTNZMJZSFOPKJ-ZWBQBCQRSA-N
MW453.63 g/mol
LogP7.70
Rot. Bonds6

About (5R)-3-benzyl-5-[(1Z)-1-cyclohexyl-4-cyclopentylidene-3-phenylbuta-1,3-dien-2-yl]-1,3-oxazolidin-2-one

(5R)-3-benzyl-5-[(1Z)-1-cyclohexyl-4-cyclopentylidene-3-phenylbuta-1,3-dien-2-yl]-1,3-oxazolidin-2-one (PubChem CID 71818948) has the molecular formula C31H35NO2 and a molecular weight of 453.63 g/mol. Its IUPAC name is (5R)-3-benzyl-5-[(1Z)-1-cyclohexyl-4-cyclopentylidene-3-phenylbuta-1,3-dien-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-benzyl-5-[(1Z)-1-cyclohexyl-4-cyclopentylidene-3-phenylbuta-1,3-dien-2-yl]-1,3-oxazolidin-2-one
PubChem CID71818948
Molecular FormulaC31H35NO2
Molecular Weight453.63 g/mol
Exact Mass453.27
IUPAC Name(5R)-3-benzyl-5-[(1Z)-1-cyclohexyl-4-cyclopentylidene-3-phenylbuta-1,3-dien-2-yl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](/C(=C\C2CCCCC2)C(=C=C2CCCC2)c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C31H35NO2/c33-31-32(22-26-16-6-2-7-17-26)23-30(34-31)29(21-25-12-4-1-5-13-25)28(20-24-14-10-11-15-24)27-18-8-3-9-19-27/h2-3,6-9,16-19,21,25,30H,1,4-5,10-15,22-23H2/b29-21-/t30-/m0/s1
InChIKeyMPTNZMJZSFOPKJ-ZWBQBCQRSA-N
XLogP7.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.63
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5R)-3-benzyl-5-[(1Z)-1-cyclohexyl-4-cyclopentylidene-3-phenylbuta-1,3-dien-2-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-benzyl-5-[(1Z)-1-cyclohexyl-4-cyclopentylidene-3-phenylbuta-1,3-dien-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-benzyl-5-[(1Z)-1-cyclohexyl-4-cyclopentylidene-3-phenylbuta-1,3-dien-2-yl]-1,3-oxazolidin-2-one (CID 71818948) is (5R)-3-benzyl-5-[(1Z)-1-cyclohexyl-4-cyclopentylidene-3-phenylbuta-1,3-dien-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-benzyl-5-[(1Z)-1-cyclohexyl-4-cyclopentylidene-3-phenylbuta-1,3-dien-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-benzyl-5-[(1Z)-1-cyclohexyl-4-cyclopentylidene-3-phenylbuta-1,3-dien-2-yl]-1,3-oxazolidin-2-one is O=C1O[C@H](/C(=C\C2CCCCC2)C(=C=C2CCCC2)c2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of (5R)-3-benzyl-5-[(1Z)-1-cyclohexyl-4-cyclopentylidene-3-phenylbuta-1,3-dien-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is MPTNZMJZSFOPKJ-ZWBQBCQRSA-N. The full InChI is InChI=1S/C31H35NO2/c33-31-32(22-26-16-6-2-7-17-26)23-30(34-31)29(21-25-12-4-1-5-13-25)28(20-24-14-10-11-15-24)27-18-8-3-9-19-27/h2-3,6-9,16-19,21,25,30H,1,4-5,10-15,22-23H2/b29-21-/t30-/m0/s1.
What are the key properties of (5R)-3-benzyl-5-[(1Z)-1-cyclohexyl-4-cyclopentylidene-3-phenylbuta-1,3-dien-2-yl]-1,3-oxazolidin-2-one?
(5R)-3-benzyl-5-[(1Z)-1-cyclohexyl-4-cyclopentylidene-3-phenylbuta-1,3-dien-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 453.63 g/mol, XLogP of 7.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-benzyl-5-[(1Z)-1-cyclohexyl-4-cyclopentylidene-3-phenylbuta-1,3-dien-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71818948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).