ethyl 2-cyclopentyl-5-methyl-1,3-oxazole-4-carboxylate

C12H17NO3 — CID 23311266

IUPACethyl 2-cyclopentyl-5-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CCCC2)oc1C
InChIInChI=1S/C12H17NO3/c1-3-15-12(14)10-8(2)16-11(13-10)9-6-4-5-7-9/h9H,3-7H2,1-2H3
InChIKeyPFHQKHMMQHEPAC-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.82
Rot. Bonds3

About ethyl 2-cyclopentyl-5-methyl-1,3-oxazole-4-carboxylate

ethyl 2-cyclopentyl-5-methyl-1,3-oxazole-4-carboxylate (PubChem CID 23311266) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is ethyl 2-cyclopentyl-5-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclopentyl-5-methyl-1,3-oxazole-4-carboxylate
PubChem CID23311266
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nameethyl 2-cyclopentyl-5-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CCCC2)oc1C
InChIInChI=1S/C12H17NO3/c1-3-15-12(14)10-8(2)16-11(13-10)9-6-4-5-7-9/h9H,3-7H2,1-2H3
InChIKeyPFHQKHMMQHEPAC-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 7127789
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CID 169664223
CID 169664223
CID 11063064
CID 11063064
CID 46900968
CID 46900968
CID 101243597
CID 101243597
CID 138970121
CID 138970121
CID 103199553
CID 103199553
CID 113787044
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CID 114226770
CID 114226770

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopentyl-5-methyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-cyclopentyl-5-methyl-1,3-oxazole-4-carboxylate (CID 23311266) is ethyl 2-cyclopentyl-5-methyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-cyclopentyl-5-methyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-cyclopentyl-5-methyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(C2CCCC2)oc1C.
What is the InChIKey of ethyl 2-cyclopentyl-5-methyl-1,3-oxazole-4-carboxylate?
The InChIKey is PFHQKHMMQHEPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-15-12(14)10-8(2)16-11(13-10)9-6-4-5-7-9/h9H,3-7H2,1-2H3.
What are the key properties of ethyl 2-cyclopentyl-5-methyl-1,3-oxazole-4-carboxylate?
ethyl 2-cyclopentyl-5-methyl-1,3-oxazole-4-carboxylate has a molecular weight of 223.27 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopentyl-5-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 23311266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).