[(2R,7R)-7-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]decan-2-yl] formate

C18H31NO5 — CID 87583176

IUPAC[(2R,7R)-7-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]decan-2-yl] formate
SMILESCCCC(CCCC[C@@H](C)OC=O)C(=O)N1C(=O)OC[C@H]1C(C)C
InChIInChI=1S/C18H31NO5/c1-5-8-15(10-7-6-9-14(4)24-12-20)17(21)19-16(13(2)3)11-23-18(19)22/h12-16H,5-11H2,1-4H3/t14-,15?,16+/m1/s1
InChIKeyCOCSBPLYUYRIED-TUOGLVOQSA-N
MW341.45 g/mol
LogP3.53
Rot. Bonds11

About [(2R,7R)-7-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]decan-2-yl] formate

[(2R,7R)-7-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]decan-2-yl] formate (PubChem CID 87583176) has the molecular formula C18H31NO5 and a molecular weight of 341.45 g/mol. Its IUPAC name is [(2R,7R)-7-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]decan-2-yl] formate.

Molecular Properties

Compound Name[(2R,7R)-7-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]decan-2-yl] formate
PubChem CID87583176
Molecular FormulaC18H31NO5
Molecular Weight341.45 g/mol
Exact Mass341.22
IUPAC Name[(2R,7R)-7-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]decan-2-yl] formate
SMILESCCCC(CCCC[C@@H](C)OC=O)C(=O)N1C(=O)OC[C@H]1C(C)C
InChIInChI=1S/C18H31NO5/c1-5-8-15(10-7-6-9-14(4)24-12-20)17(21)19-16(13(2)3)11-23-18(19)22/h12-16H,5-11H2,1-4H3/t14-,15?,16+/m1/s1
InChIKeyCOCSBPLYUYRIED-TUOGLVOQSA-N
XLogP3.53
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,7R)-7-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]decan-2-yl] formate?
The IUPAC name of [(2R,7R)-7-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]decan-2-yl] formate (CID 87583176) is [(2R,7R)-7-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]decan-2-yl] formate.
What is the SMILES notation for [(2R,7R)-7-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]decan-2-yl] formate?
The canonical SMILES for [(2R,7R)-7-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]decan-2-yl] formate is CCCC(CCCC[C@@H](C)OC=O)C(=O)N1C(=O)OC[C@H]1C(C)C.
What is the InChIKey of [(2R,7R)-7-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]decan-2-yl] formate?
The InChIKey is COCSBPLYUYRIED-TUOGLVOQSA-N. The full InChI is InChI=1S/C18H31NO5/c1-5-8-15(10-7-6-9-14(4)24-12-20)17(21)19-16(13(2)3)11-23-18(19)22/h12-16H,5-11H2,1-4H3/t14-,15?,16+/m1/s1.
What are the key properties of [(2R,7R)-7-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]decan-2-yl] formate?
[(2R,7R)-7-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]decan-2-yl] formate has a molecular weight of 341.45 g/mol, XLogP of 3.53, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,7R)-7-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]decan-2-yl] formate is sourced from PubChem (CID 87583176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).