3-benzyl-5-methyl-1,3-oxazolidin-2-one;bicyclo[2.1.0]pent-1(5)-ene;butane;ethane

C22H35NO2 — CID 144657002

IUPAC3-benzyl-5-methyl-1,3-oxazolidin-2-one;bicyclo[2.1.0]pent-1(5)-ene;butane;ethane
SMILESC1=C2CCC12.CC.CC1CN(Cc2ccccc2)C(=O)O1.CCCC
InChIInChI=1S/C11H13NO2.C5H6.C4H10.C2H6/c1-9-7-12(11(13)14-9)8-10-5-3-2-4-6-10;1-2-5-3-4(1)5;1-3-4-2;1-2/h2-6,9H,7-8H2,1H3;3-4H,1-2H2;3-4H2,1-2H3;1-2H3
InChIKeyWJCXWSZRYKVXHL-UHFFFAOYSA-N
MW345.53 g/mol
LogP6.20
Rot. Bonds3

About 3-benzyl-5-methyl-1,3-oxazolidin-2-one;bicyclo[2.1.0]pent-1(5)-ene;butane;ethane

3-benzyl-5-methyl-1,3-oxazolidin-2-one;bicyclo[2.1.0]pent-1(5)-ene;butane;ethane (PubChem CID 144657002) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is 3-benzyl-5-methyl-1,3-oxazolidin-2-one;bicyclo[2.1.0]pent-1(5)-ene;butane;ethane.

Molecular Properties

Compound Name3-benzyl-5-methyl-1,3-oxazolidin-2-one;bicyclo[2.1.0]pent-1(5)-ene;butane;ethane
PubChem CID144657002
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC Name3-benzyl-5-methyl-1,3-oxazolidin-2-one;bicyclo[2.1.0]pent-1(5)-ene;butane;ethane
SMILESC1=C2CCC12.CC.CC1CN(Cc2ccccc2)C(=O)O1.CCCC
InChIInChI=1S/C11H13NO2.C5H6.C4H10.C2H6/c1-9-7-12(11(13)14-9)8-10-5-3-2-4-6-10;1-2-5-3-4(1)5;1-3-4-2;1-2/h2-6,9H,7-8H2,1H3;3-4H,1-2H2;3-4H2,1-2H3;1-2H3
InChIKeyWJCXWSZRYKVXHL-UHFFFAOYSA-N
XLogP6.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-benzyl-5-methyl-1,3-oxazolidin-2-one;bicyclo[2.1.0]pent-1(5)-ene;butane;ethane with MolForge

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Related Compounds

ethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 90810932
5-methyl-3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
CID 25174081
3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625
(5R)-3-benzyl-5-[(1R)-1-hydroxybutyl]-1,3-oxazolidin-2-one
CID 50901183
(5R)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 44591745
(5R)-3-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 44591685
3-[(4-cyclohexyloxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 25173617
(5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde
CID 10954695
(5S)-3-benzyl-5-methyl-1,3-oxazinan-2-one
CID 122420073
3-[[4-[(2-ethoxyphenyl)methoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 25174001
3-benzyl-5-(2-chloropropyl)-1,3-oxazolidin-2-one
CID 161152450
(5R)-3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 68813968

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-methyl-1,3-oxazolidin-2-one;bicyclo[2.1.0]pent-1(5)-ene;butane;ethane?
The IUPAC name of 3-benzyl-5-methyl-1,3-oxazolidin-2-one;bicyclo[2.1.0]pent-1(5)-ene;butane;ethane (CID 144657002) is 3-benzyl-5-methyl-1,3-oxazolidin-2-one;bicyclo[2.1.0]pent-1(5)-ene;butane;ethane.
What is the SMILES notation for 3-benzyl-5-methyl-1,3-oxazolidin-2-one;bicyclo[2.1.0]pent-1(5)-ene;butane;ethane?
The canonical SMILES for 3-benzyl-5-methyl-1,3-oxazolidin-2-one;bicyclo[2.1.0]pent-1(5)-ene;butane;ethane is C1=C2CCC12.CC.CC1CN(Cc2ccccc2)C(=O)O1.CCCC.
What is the InChIKey of 3-benzyl-5-methyl-1,3-oxazolidin-2-one;bicyclo[2.1.0]pent-1(5)-ene;butane;ethane?
The InChIKey is WJCXWSZRYKVXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.C5H6.C4H10.C2H6/c1-9-7-12(11(13)14-9)8-10-5-3-2-4-6-10;1-2-5-3-4(1)5;1-3-4-2;1-2/h2-6,9H,7-8H2,1H3;3-4H,1-2H2;3-4H2,1-2H3;1-2H3.
What are the key properties of 3-benzyl-5-methyl-1,3-oxazolidin-2-one;bicyclo[2.1.0]pent-1(5)-ene;butane;ethane?
3-benzyl-5-methyl-1,3-oxazolidin-2-one;bicyclo[2.1.0]pent-1(5)-ene;butane;ethane has a molecular weight of 345.53 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-methyl-1,3-oxazolidin-2-one;bicyclo[2.1.0]pent-1(5)-ene;butane;ethane is sourced from PubChem (CID 144657002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).