2-[2-[(E)-2-cyclopentylethenyl]-5-methyl-1,3-oxazol-4-yl]ethyl methanesulfonate

C14H21NO4S — CID 54671974

IUPAC2-[2-[(E)-2-cyclopentylethenyl]-5-methyl-1,3-oxazol-4-yl]ethyl methanesulfonate
SMILESCc1oc(/C=C/C2CCCC2)nc1CCOS(C)(=O)=O
InChIInChI=1S/C14H21NO4S/c1-11-13(9-10-18-20(2,16)17)15-14(19-11)8-7-12-5-3-4-6-12/h7-8,12H,3-6,9-10H2,1-2H3/b8-7+
InChIKeyJAWUZAWREYFKAN-BQYQJAHWSA-N
MW299.39 g/mol
LogP2.71
Rot. Bonds6

About 2-[2-[(E)-2-cyclopentylethenyl]-5-methyl-1,3-oxazol-4-yl]ethyl methanesulfonate

2-[2-[(E)-2-cyclopentylethenyl]-5-methyl-1,3-oxazol-4-yl]ethyl methanesulfonate (PubChem CID 54671974) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 2-[2-[(E)-2-cyclopentylethenyl]-5-methyl-1,3-oxazol-4-yl]ethyl methanesulfonate.

Molecular Properties

Compound Name2-[2-[(E)-2-cyclopentylethenyl]-5-methyl-1,3-oxazol-4-yl]ethyl methanesulfonate
PubChem CID54671974
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name2-[2-[(E)-2-cyclopentylethenyl]-5-methyl-1,3-oxazol-4-yl]ethyl methanesulfonate
SMILESCc1oc(/C=C/C2CCCC2)nc1CCOS(C)(=O)=O
InChIInChI=1S/C14H21NO4S/c1-11-13(9-10-18-20(2,16)17)15-14(19-11)8-7-12-5-3-4-6-12/h7-8,12H,3-6,9-10H2,1-2H3/b8-7+
InChIKeyJAWUZAWREYFKAN-BQYQJAHWSA-N
XLogP2.71
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

CID 87677623
CID 87677623
CID 90945961
CID 90945961
CID 22933308
CID 22933308
CID 22933314
CID 22933314
CID 54671975
CID 54671975
CID 54671976
CID 54671976
CID 54671978
CID 54671978
CID 54672060
CID 54672060
CID 69058947
CID 69058947
CID 69058948
CID 69058948
CID 69060333
CID 69060333
CID 69065736
CID 69065736

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-cyclopentylethenyl]-5-methyl-1,3-oxazol-4-yl]ethyl methanesulfonate?
The IUPAC name of 2-[2-[(E)-2-cyclopentylethenyl]-5-methyl-1,3-oxazol-4-yl]ethyl methanesulfonate (CID 54671974) is 2-[2-[(E)-2-cyclopentylethenyl]-5-methyl-1,3-oxazol-4-yl]ethyl methanesulfonate.
What is the SMILES notation for 2-[2-[(E)-2-cyclopentylethenyl]-5-methyl-1,3-oxazol-4-yl]ethyl methanesulfonate?
The canonical SMILES for 2-[2-[(E)-2-cyclopentylethenyl]-5-methyl-1,3-oxazol-4-yl]ethyl methanesulfonate is Cc1oc(/C=C/C2CCCC2)nc1CCOS(C)(=O)=O.
What is the InChIKey of 2-[2-[(E)-2-cyclopentylethenyl]-5-methyl-1,3-oxazol-4-yl]ethyl methanesulfonate?
The InChIKey is JAWUZAWREYFKAN-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-11-13(9-10-18-20(2,16)17)15-14(19-11)8-7-12-5-3-4-6-12/h7-8,12H,3-6,9-10H2,1-2H3/b8-7+.
What are the key properties of 2-[2-[(E)-2-cyclopentylethenyl]-5-methyl-1,3-oxazol-4-yl]ethyl methanesulfonate?
2-[2-[(E)-2-cyclopentylethenyl]-5-methyl-1,3-oxazol-4-yl]ethyl methanesulfonate has a molecular weight of 299.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-cyclopentylethenyl]-5-methyl-1,3-oxazol-4-yl]ethyl methanesulfonate is sourced from PubChem (CID 54671974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).