cyclohexylmethyl 5-ethyl-1,3-oxazole-4-carboxylate

C13H19NO3 — CID 56794338

IUPACcyclohexylmethyl 5-ethyl-1,3-oxazole-4-carboxylate
SMILESCCc1ocnc1C(=O)OCC1CCCCC1
InChIInChI=1S/C13H19NO3/c1-2-11-12(14-9-17-11)13(15)16-8-10-6-4-3-5-7-10/h9-10H,2-8H2,1H3
InChIKeyCLILDXPNTFOYQO-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.97
Rot. Bonds4

About cyclohexylmethyl 5-ethyl-1,3-oxazole-4-carboxylate

cyclohexylmethyl 5-ethyl-1,3-oxazole-4-carboxylate (PubChem CID 56794338) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is cyclohexylmethyl 5-ethyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 5-ethyl-1,3-oxazole-4-carboxylate
PubChem CID56794338
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namecyclohexylmethyl 5-ethyl-1,3-oxazole-4-carboxylate
SMILESCCc1ocnc1C(=O)OCC1CCCCC1
InChIInChI=1S/C13H19NO3/c1-2-11-12(14-9-17-11)13(15)16-8-10-6-4-3-5-7-10/h9-10H,2-8H2,1H3
InChIKeyCLILDXPNTFOYQO-UHFFFAOYSA-N
XLogP2.97
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Oxazolecarboxylic acid, 5-ethyl-, ethyl ester
CID 12214102
Ethyl 5-cyclopropyloxazole-4-carboxylate
CID 13496996
Ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate
CID 21031491
5-(1,1-Dimethylethyl)-4-oxazolecarboxylic acid
CID 22055236
Ethyl 5-(piperidin-4-yl)-1,3-oxazole-4-carboxylate hydrochloride
CID 132397610
Ethyl 5-isopropyloxazole-4-carboxylate
CID 12214103
Ethyl 5-hexyloxazole-4-carboxylate
CID 13496994
Ethyl 5-cyclobutyloxazole-4-carboxylate
CID 18983302
Ethyl 5-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,3-oxazole-4-carboxylate
CID 156359980
Ethyl 5-(3,3-difluorocyclobutyl)-1,3-oxazole-4-carboxylate
CID 156359998
Ethyl 5-(1-fluorocyclopropyl)-1,3-oxazole-4-carboxylate
CID 156360306
Ethyl 5-(3-fluorobut-3-enyl)-1,3-oxazole-4-carboxylate
CID 169579010

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 5-ethyl-1,3-oxazole-4-carboxylate?
The IUPAC name of cyclohexylmethyl 5-ethyl-1,3-oxazole-4-carboxylate (CID 56794338) is cyclohexylmethyl 5-ethyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for cyclohexylmethyl 5-ethyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for cyclohexylmethyl 5-ethyl-1,3-oxazole-4-carboxylate is CCc1ocnc1C(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl 5-ethyl-1,3-oxazole-4-carboxylate?
The InChIKey is CLILDXPNTFOYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-11-12(14-9-17-11)13(15)16-8-10-6-4-3-5-7-10/h9-10H,2-8H2,1H3.
What are the key properties of cyclohexylmethyl 5-ethyl-1,3-oxazole-4-carboxylate?
cyclohexylmethyl 5-ethyl-1,3-oxazole-4-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 5-ethyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 56794338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).