ethyl 5-(2-methylcyclopentyl)-1,3-oxazole-4-carboxylate

C12H17NO3 — CID 107183118

IUPACethyl 5-(2-methylcyclopentyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1C1CCCC1C
InChIInChI=1S/C12H17NO3/c1-3-15-12(14)10-11(16-7-13-10)9-6-4-5-8(9)2/h7-9H,3-6H2,1-2H3
InChIKeyRAMIYRPDLGUDSM-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.75
Rot. Bonds3

About ethyl 5-(2-methylcyclopentyl)-1,3-oxazole-4-carboxylate

ethyl 5-(2-methylcyclopentyl)-1,3-oxazole-4-carboxylate (PubChem CID 107183118) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is ethyl 5-(2-methylcyclopentyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-methylcyclopentyl)-1,3-oxazole-4-carboxylate
PubChem CID107183118
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nameethyl 5-(2-methylcyclopentyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1C1CCCC1C
InChIInChI=1S/C12H17NO3/c1-3-15-12(14)10-11(16-7-13-10)9-6-4-5-8(9)2/h7-9H,3-6H2,1-2H3
InChIKeyRAMIYRPDLGUDSM-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-piperidin-2-yl-1,3-oxazole-4-carboxylate
CID 117275252
ethyl 5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-4-carboxylate
CID 65159628
ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate
CID 171692284
ethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate
CID 168859081
ethyl 5-[2-(cyclohexylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
CID 20973922
ethyl 5-[2-(4-methylpiperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxylate
CID 46387154
ethyl 5-[2-(cycloheptylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
CID 20973901
ethyl 3-[(1R,2S)-2-methylcyclohexyl]benzoate
CID 58617185
1-(4-ethoxycarbonyl-1,3-oxazol-5-yl)ethylcarbamic acid
CID 46839934
ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 100802140
ethyl (3aS,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-3-carboxylate
CID 92982943
ethyl 2-methylcyclopentane-1-carboxylate
CID 10844634

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methylcyclopentyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-methylcyclopentyl)-1,3-oxazole-4-carboxylate (CID 107183118) is ethyl 5-(2-methylcyclopentyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-methylcyclopentyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-methylcyclopentyl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1C1CCCC1C.
What is the InChIKey of ethyl 5-(2-methylcyclopentyl)-1,3-oxazole-4-carboxylate?
The InChIKey is RAMIYRPDLGUDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-15-12(14)10-11(16-7-13-10)9-6-4-5-8(9)2/h7-9H,3-6H2,1-2H3.
What are the key properties of ethyl 5-(2-methylcyclopentyl)-1,3-oxazole-4-carboxylate?
ethyl 5-(2-methylcyclopentyl)-1,3-oxazole-4-carboxylate has a molecular weight of 223.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-methylcyclopentyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 107183118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).