(4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyhept-2-enyl]-1,3-oxazolidin-2-one

C16H25NO4 — CID 57395585

IUPAC(4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyhept-2-enyl]-1,3-oxazolidin-2-one
SMILESCCCC/C=C/[C@@H](O)[C@@H]1COC(=O)N1C(=O)C1CCCC1
InChIInChI=1S/C16H25NO4/c1-2-3-4-5-10-14(18)13-11-21-16(20)17(13)15(19)12-8-6-7-9-12/h5,10,12-14,18H,2-4,6-9,11H2,1H3/b10-5+/t13-,14+/m0/s1
InChIKeyZCHKHPWWRSWHQC-KGYRSLOKSA-N
MW295.38 g/mol
LogP2.63
Rot. Bonds6

About (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyhept-2-enyl]-1,3-oxazolidin-2-one

(4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyhept-2-enyl]-1,3-oxazolidin-2-one (PubChem CID 57395585) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyhept-2-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyhept-2-enyl]-1,3-oxazolidin-2-one
PubChem CID57395585
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name(4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyhept-2-enyl]-1,3-oxazolidin-2-one
SMILESCCCC/C=C/[C@@H](O)[C@@H]1COC(=O)N1C(=O)C1CCCC1
InChIInChI=1S/C16H25NO4/c1-2-3-4-5-10-14(18)13-11-21-16(20)17(13)15(19)12-8-6-7-9-12/h5,10,12-14,18H,2-4,6-9,11H2,1H3/b10-5+/t13-,14+/m0/s1
InChIKeyZCHKHPWWRSWHQC-KGYRSLOKSA-N
XLogP2.63
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyhept-2-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyhept-2-enyl]-1,3-oxazolidin-2-one (CID 57395585) is (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyhept-2-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyhept-2-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyhept-2-enyl]-1,3-oxazolidin-2-one is CCCC/C=C/[C@@H](O)[C@@H]1COC(=O)N1C(=O)C1CCCC1.
What is the InChIKey of (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyhept-2-enyl]-1,3-oxazolidin-2-one?
The InChIKey is ZCHKHPWWRSWHQC-KGYRSLOKSA-N. The full InChI is InChI=1S/C16H25NO4/c1-2-3-4-5-10-14(18)13-11-21-16(20)17(13)15(19)12-8-6-7-9-12/h5,10,12-14,18H,2-4,6-9,11H2,1H3/b10-5+/t13-,14+/m0/s1.
What are the key properties of (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyhept-2-enyl]-1,3-oxazolidin-2-one?
(4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyhept-2-enyl]-1,3-oxazolidin-2-one has a molecular weight of 295.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyhept-2-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 57395585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).