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

C14H19F2NO3 — CID 103199090

IUPACethyl 2-(cyclohexylmethyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(CC2CCCCC2)nc1C(F)F
InChIInChI=1S/C14H19F2NO3/c1-2-19-14(18)12-11(13(15)16)17-10(20-12)8-9-6-4-3-5-7-9/h9,13H,2-8H2,1H3
InChIKeyWBSCBLUJZWLFKS-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.91
Rot. Bonds5

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

ethyl 2-(cyclohexylmethyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate (PubChem CID 103199090) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is ethyl 2-(cyclohexylmethyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclohexylmethyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate
PubChem CID103199090
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Nameethyl 2-(cyclohexylmethyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(CC2CCCCC2)nc1C(F)F
InChIInChI=1S/C14H19F2NO3/c1-2-19-14(18)12-11(13(15)16)17-10(20-12)8-9-6-4-3-5-7-9/h9,13H,2-8H2,1H3
InChIKeyWBSCBLUJZWLFKS-UHFFFAOYSA-N
XLogP3.91
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(cyclopentylmethyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 65710035
Ethyl 4-(cyclohexen-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 56930140
Ethyl 4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carboxylate
CID 81935398
4-Methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carbaldehyde
CID 87538562
2-Methoxyethyl 2-cyclohexyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
CID 91400362
Ethyl 2-methyl-4-(trifluoromethyl)oxazole-5-carboxylate
CID 103199474
Ethyl 4-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxylate
CID 65712650
Ethyl 4-methyl-2-(3,3,3-trifluoropropyl)-1,3-oxazole-5-carboxylate
CID 65713236
4-Methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carboxylic acid
CID 81934497
4-Methyl-2-[3-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carboxylic acid
CID 81934518
2-(4,4-Difluorocyclohexyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 81934536
Ethyl 2-(4,4-difluorocyclohexyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 81934558

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclohexylmethyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-(cyclohexylmethyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate (CID 103199090) is ethyl 2-(cyclohexylmethyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(cyclohexylmethyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(cyclohexylmethyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(CC2CCCCC2)nc1C(F)F.
What is the InChIKey of ethyl 2-(cyclohexylmethyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate?
The InChIKey is WBSCBLUJZWLFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-2-19-14(18)12-11(13(15)16)17-10(20-12)8-9-6-4-3-5-7-9/h9,13H,2-8H2,1H3.
What are the key properties of ethyl 2-(cyclohexylmethyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate?
ethyl 2-(cyclohexylmethyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate has a molecular weight of 287.31 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclohexylmethyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 103199090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).