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

C13H17F2NO3 — CID 103199076

IUPACethyl 4-(difluoromethyl)-2-(1-methylcyclopentyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(C2(C)CCCC2)nc1C(F)F
InChIInChI=1S/C13H17F2NO3/c1-3-18-11(17)9-8(10(14)15)16-12(19-9)13(2)6-4-5-7-13/h10H,3-7H2,1-2H3
InChIKeyUUXLSMANGCYKNT-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.62
Rot. Bonds4

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

ethyl 4-(difluoromethyl)-2-(1-methylcyclopentyl)-1,3-oxazole-5-carboxylate (PubChem CID 103199076) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is ethyl 4-(difluoromethyl)-2-(1-methylcyclopentyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(difluoromethyl)-2-(1-methylcyclopentyl)-1,3-oxazole-5-carboxylate
PubChem CID103199076
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Nameethyl 4-(difluoromethyl)-2-(1-methylcyclopentyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(C2(C)CCCC2)nc1C(F)F
InChIInChI=1S/C13H17F2NO3/c1-3-18-11(17)9-8(10(14)15)16-12(19-9)13(2)6-4-5-7-13/h10H,3-7H2,1-2H3
InChIKeyUUXLSMANGCYKNT-UHFFFAOYSA-N
XLogP3.62
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(difluoromethyl)-2-(1-methylcyclopentyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-(difluoromethyl)-2-(1-methylcyclopentyl)-1,3-oxazole-5-carboxylate (CID 103199076) is ethyl 4-(difluoromethyl)-2-(1-methylcyclopentyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(difluoromethyl)-2-(1-methylcyclopentyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-(difluoromethyl)-2-(1-methylcyclopentyl)-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(C2(C)CCCC2)nc1C(F)F.
What is the InChIKey of ethyl 4-(difluoromethyl)-2-(1-methylcyclopentyl)-1,3-oxazole-5-carboxylate?
The InChIKey is UUXLSMANGCYKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-3-18-11(17)9-8(10(14)15)16-12(19-9)13(2)6-4-5-7-13/h10H,3-7H2,1-2H3.
What are the key properties of ethyl 4-(difluoromethyl)-2-(1-methylcyclopentyl)-1,3-oxazole-5-carboxylate?
ethyl 4-(difluoromethyl)-2-(1-methylcyclopentyl)-1,3-oxazole-5-carboxylate has a molecular weight of 273.28 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(difluoromethyl)-2-(1-methylcyclopentyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 103199076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).