methyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate

C11H17NO3 — CID 141011001

IUPACmethyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1CC(C2CCCCC2)=NO1
InChIInChI=1S/C11H17NO3/c1-14-11(13)10-7-9(12-15-10)8-5-3-2-4-6-8/h8,10H,2-7H2,1H3
InChIKeyPTCSFAKXGPEAGK-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.88
Rot. Bonds2

About methyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate

methyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate (PubChem CID 141011001) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate
PubChem CID141011001
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namemethyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1CC(C2CCCCC2)=NO1
InChIInChI=1S/C11H17NO3/c1-14-11(13)10-7-9(12-15-10)8-5-3-2-4-6-8/h8,10H,2-7H2,1H3
InChIKeyPTCSFAKXGPEAGK-UHFFFAOYSA-N
XLogP1.88
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-hydroxy-4,5,6,7-tetrahydro-3aH-2,1-benzoxazole-3-carboxylate
CID 134855117
ethyl 3-tert-butyl-5-(2-fluoroethyl)-5,6-dihydro-4H-oxazine-6-carboxylate
CID 169649119
methyl 5-fluoro-3-heptan-3-yl-4H-1,2-oxazole-5-carboxylate
CID 169649166
methyl 5-fluoro-3-pentan-2-yl-4H-1,2-oxazole-5-carboxylate
CID 169649197
methyl (4S,5S)-3-hexyl-4-methyl-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-5-carboxylate
CID 11845900
ethyl (2Z)-4-cyclohexyl-2-methoxyiminobutanoate
CID 177606095
Methyl 3-isopropyl-4,5-dihydroisoxazole-5-carboxylate
CID 10797263
Ethyl 3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 11275442
5-Isoxazolecarboxylic acid, 3-(2-ethylbutyl)-4,5-dihydro-, methyl ester
CID 11715466
3-Cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 62312711
Ethyl 5-cyclohexyl-4,5-dihydroisoxazole-3-carboxylate
CID 66831757
Methyl 3-pentyl-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 67601508

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate (CID 141011001) is methyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate is COC(=O)C1CC(C2CCCCC2)=NO1.
What is the InChIKey of methyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The InChIKey is PTCSFAKXGPEAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-14-11(13)10-7-9(12-15-10)8-5-3-2-4-6-8/h8,10H,2-7H2,1H3.
What are the key properties of methyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
methyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 141011001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).