(4S)-4-(2-propyloctanoyl)-1,3-oxazolidin-2-one

C14H25NO3 — CID 130436448

IUPAC(4S)-4-(2-propyloctanoyl)-1,3-oxazolidin-2-one
SMILESCCCCCCC(CCC)C(=O)[C@@H]1COC(=O)N1
InChIInChI=1S/C14H25NO3/c1-3-5-6-7-9-11(8-4-2)13(16)12-10-18-14(17)15-12/h11-12H,3-10H2,1-2H3,(H,15,17)/t11?,12-/m0/s1
InChIKeyUSJMFSZCADGFPO-KIYNQFGBSA-N
MW255.36 g/mol
LogP3.05
Rot. Bonds9

About (4S)-4-(2-propyloctanoyl)-1,3-oxazolidin-2-one

(4S)-4-(2-propyloctanoyl)-1,3-oxazolidin-2-one (PubChem CID 130436448) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (4S)-4-(2-propyloctanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2-propyloctanoyl)-1,3-oxazolidin-2-one
PubChem CID130436448
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(4S)-4-(2-propyloctanoyl)-1,3-oxazolidin-2-one
SMILESCCCCCCC(CCC)C(=O)[C@@H]1COC(=O)N1
InChIInChI=1S/C14H25NO3/c1-3-5-6-7-9-11(8-4-2)13(16)12-10-18-14(17)15-12/h11-12H,3-10H2,1-2H3,(H,15,17)/t11?,12-/m0/s1
InChIKeyUSJMFSZCADGFPO-KIYNQFGBSA-N
XLogP3.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 110649103
1-cyclopropyl-2-ethyloctan-1-one
CID 175800062
2-propylhexadecanoic acid
CID 10040360
2-propylheptadecanoic acid
CID 22251985
(4R)-4-(1-chlorobutyl)-1,3-oxazolidin-2-one
CID 101398831
sodium (4R)-2-oxo-1,3-oxazolidine-4-carboxylate
CID 140773335
magnesium bis(2-propyldodecanoate)
CID 21393972
2-propylnonanoyl 2-propylnonanoate
CID 54359138
22,24-di(henicosyl)pentatetracontan-23-one
CID 174350862
9,11-dipentylnonadecan-10-one
CID 174915946
11,13-diheptyltricosan-12-one
CID 175328104
cyclopropyl 2-hexyldecanoate
CID 174570245

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-propyloctanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(2-propyloctanoyl)-1,3-oxazolidin-2-one (CID 130436448) is (4S)-4-(2-propyloctanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(2-propyloctanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(2-propyloctanoyl)-1,3-oxazolidin-2-one is CCCCCCC(CCC)C(=O)[C@@H]1COC(=O)N1.
What is the InChIKey of (4S)-4-(2-propyloctanoyl)-1,3-oxazolidin-2-one?
The InChIKey is USJMFSZCADGFPO-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-5-6-7-9-11(8-4-2)13(16)12-10-18-14(17)15-12/h11-12H,3-10H2,1-2H3,(H,15,17)/t11?,12-/m0/s1.
What are the key properties of (4S)-4-(2-propyloctanoyl)-1,3-oxazolidin-2-one?
(4S)-4-(2-propyloctanoyl)-1,3-oxazolidin-2-one has a molecular weight of 255.36 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-propyloctanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 130436448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).