3-(4-cyclopropylphenyl)-5-hexyl-1,3-oxazolidin-2-one

C18H25NO2 — CID 59580221

IUPAC3-(4-cyclopropylphenyl)-5-hexyl-1,3-oxazolidin-2-one
SMILESCCCCCCC1CN(c2ccc(C3CC3)cc2)C(=O)O1
InChIInChI=1S/C18H25NO2/c1-2-3-4-5-6-17-13-19(18(20)21-17)16-11-9-15(10-12-16)14-7-8-14/h9-12,14,17H,2-8,13H2,1H3
InChIKeyINFRSJGJFRJETI-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.86
Rot. Bonds7

About 3-(4-cyclopropylphenyl)-5-hexyl-1,3-oxazolidin-2-one

3-(4-cyclopropylphenyl)-5-hexyl-1,3-oxazolidin-2-one (PubChem CID 59580221) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-(4-cyclopropylphenyl)-5-hexyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-cyclopropylphenyl)-5-hexyl-1,3-oxazolidin-2-one
PubChem CID59580221
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name3-(4-cyclopropylphenyl)-5-hexyl-1,3-oxazolidin-2-one
SMILESCCCCCCC1CN(c2ccc(C3CC3)cc2)C(=O)O1
InChIInChI=1S/C18H25NO2/c1-2-3-4-5-6-17-13-19(18(20)21-17)16-11-9-15(10-12-16)14-7-8-14/h9-12,14,17H,2-8,13H2,1H3
InChIKeyINFRSJGJFRJETI-UHFFFAOYSA-N
XLogP4.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-hexyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 22368592
5-dodecyl-3-phenyl-1,3-oxazolidin-2-one
CID 23270939
(5R)-5-hexyl-3-thiophen-3-yl-1,3-oxazolidin-2-one
CID 124582743
3-(4-ethynyl-3-fluorophenyl)-5-hexyl-1,3-oxazolidin-2-one
CID 89014870
2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)benzonitrile
CID 59580233
3-(2-aminophenyl)-5-hexyl-1,3-oxazolidin-2-one
CID 46887116
3-(4-cyclohexylphenyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 15987062
(5S)-5-hexyl-3-thiophen-2-yl-1,3-oxazolidin-2-one
CID 124582742
2-[2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]acetonitrile
CID 59580299
5-hexyl-3-quinazolin-7-yl-1,3-oxazolidin-2-one
CID 59580231
[4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclohexyl] acetate
CID 54456815
5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 115060000

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylphenyl)-5-hexyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-cyclopropylphenyl)-5-hexyl-1,3-oxazolidin-2-one (CID 59580221) is 3-(4-cyclopropylphenyl)-5-hexyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-cyclopropylphenyl)-5-hexyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-cyclopropylphenyl)-5-hexyl-1,3-oxazolidin-2-one is CCCCCCC1CN(c2ccc(C3CC3)cc2)C(=O)O1.
What is the InChIKey of 3-(4-cyclopropylphenyl)-5-hexyl-1,3-oxazolidin-2-one?
The InChIKey is INFRSJGJFRJETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-3-4-5-6-17-13-19(18(20)21-17)16-11-9-15(10-12-16)14-7-8-14/h9-12,14,17H,2-8,13H2,1H3.
What are the key properties of 3-(4-cyclopropylphenyl)-5-hexyl-1,3-oxazolidin-2-one?
3-(4-cyclopropylphenyl)-5-hexyl-1,3-oxazolidin-2-one has a molecular weight of 287.40 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylphenyl)-5-hexyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59580221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).