(4R,5R)-5-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one

C16H24N2O3 — CID 134200027

IUPAC(4R,5R)-5-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESC=C(/C=C\C(=C/C)OC)[C@H]1OC(=O)N[C@@H]1CN1CCCC1
InChIInChI=1S/C16H24N2O3/c1-4-13(20-3)8-7-12(2)15-14(17-16(19)21-15)11-18-9-5-6-10-18/h4,7-8,14-15H,2,5-6,9-11H2,1,3H3,(H,17,19)/b8-7-,13-4+/t14-,15-/m1/s1
InChIKeyIIKUBWLMVLKLAC-YBVIFJFPSA-N
MW292.38 g/mol
LogP2.22
Rot. Bonds6

About (4R,5R)-5-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one

(4R,5R)-5-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 134200027) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (4R,5R)-5-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID134200027
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(4R,5R)-5-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESC=C(/C=C\C(=C/C)OC)[C@H]1OC(=O)N[C@@H]1CN1CCCC1
InChIInChI=1S/C16H24N2O3/c1-4-13(20-3)8-7-12(2)15-14(17-16(19)21-15)11-18-9-5-6-10-18/h4,7-8,14-15H,2,5-6,9-11H2,1,3H3,(H,17,19)/b8-7-,13-4+/t14-,15-/m1/s1
InChIKeyIIKUBWLMVLKLAC-YBVIFJFPSA-N
XLogP2.22
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one (CID 134200027) is (4R,5R)-5-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one is C=C(/C=C\C(=C/C)OC)[C@H]1OC(=O)N[C@@H]1CN1CCCC1.
What is the InChIKey of (4R,5R)-5-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is IIKUBWLMVLKLAC-YBVIFJFPSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-13(20-3)8-7-12(2)15-14(17-16(19)21-15)11-18-9-5-6-10-18/h4,7-8,14-15H,2,5-6,9-11H2,1,3H3,(H,17,19)/b8-7-,13-4+/t14-,15-/m1/s1.
What are the key properties of (4R,5R)-5-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one?
(4R,5R)-5-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 292.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 134200027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).