ethyl 1-(2-methyl-1,3-oxazol-5-yl)cyclopentane-1-carboxylate

C12H17NO3 — CID 58201719

IUPACethyl 1-(2-methyl-1,3-oxazol-5-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2cnc(C)o2)CCCC1
InChIInChI=1S/C12H17NO3/c1-3-15-11(14)12(6-4-5-7-12)10-8-13-9(2)16-10/h8H,3-7H2,1-2H3
InChIKeyIOOFRHBCTGRSKI-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.36
Rot. Bonds3

About ethyl 1-(2-methyl-1,3-oxazol-5-yl)cyclopentane-1-carboxylate

ethyl 1-(2-methyl-1,3-oxazol-5-yl)cyclopentane-1-carboxylate (PubChem CID 58201719) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is ethyl 1-(2-methyl-1,3-oxazol-5-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methyl-1,3-oxazol-5-yl)cyclopentane-1-carboxylate
PubChem CID58201719
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nameethyl 1-(2-methyl-1,3-oxazol-5-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2cnc(C)o2)CCCC1
InChIInChI=1S/C12H17NO3/c1-3-15-11(14)12(6-4-5-7-12)10-8-13-9(2)16-10/h8H,3-7H2,1-2H3
InChIKeyIOOFRHBCTGRSKI-UHFFFAOYSA-N
XLogP2.36
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methyl-1,3-oxazol-5-yl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(2-methyl-1,3-oxazol-5-yl)cyclopentane-1-carboxylate (CID 58201719) is ethyl 1-(2-methyl-1,3-oxazol-5-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(2-methyl-1,3-oxazol-5-yl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(2-methyl-1,3-oxazol-5-yl)cyclopentane-1-carboxylate is CCOC(=O)C1(c2cnc(C)o2)CCCC1.
What is the InChIKey of ethyl 1-(2-methyl-1,3-oxazol-5-yl)cyclopentane-1-carboxylate?
The InChIKey is IOOFRHBCTGRSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-15-11(14)12(6-4-5-7-12)10-8-13-9(2)16-10/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 1-(2-methyl-1,3-oxazol-5-yl)cyclopentane-1-carboxylate?
ethyl 1-(2-methyl-1,3-oxazol-5-yl)cyclopentane-1-carboxylate has a molecular weight of 223.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methyl-1,3-oxazol-5-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 58201719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).