methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylcarbamate

C17H17FN2O4 — CID 22621145

IUPACmethyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylcarbamate
SMILESCCN(C(=O)OC)c1cc(F)ccc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C17H17FN2O4/c1-3-20(17(22)23-2)14-8-11(18)6-7-12(14)15(21)13-9-19-24-16(13)10-4-5-10/h6-10H,3-5H2,1-2H3
InChIKeyYUVFBDOCCNYEJB-UHFFFAOYSA-N
MW332.33 g/mol
LogP3.51
Rot. Bonds5

About methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylcarbamate

methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylcarbamate (PubChem CID 22621145) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylcarbamate.

Molecular Properties

Compound Namemethyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylcarbamate
PubChem CID22621145
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Namemethyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylcarbamate
SMILESCCN(C(=O)OC)c1cc(F)ccc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C17H17FN2O4/c1-3-20(17(22)23-2)14-8-11(18)6-7-12(14)15(21)13-9-19-24-16(13)10-4-5-10/h6-10H,3-5H2,1-2H3
InChIKeyYUVFBDOCCNYEJB-UHFFFAOYSA-N
XLogP3.51
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylcarbamate?
The IUPAC name of methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylcarbamate (CID 22621145) is methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylcarbamate.
What is the SMILES notation for methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylcarbamate?
The canonical SMILES for methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylcarbamate is CCN(C(=O)OC)c1cc(F)ccc1C(=O)c1cnoc1C1CC1.
What is the InChIKey of methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylcarbamate?
The InChIKey is YUVFBDOCCNYEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-3-20(17(22)23-2)14-8-11(18)6-7-12(14)15(21)13-9-19-24-16(13)10-4-5-10/h6-10H,3-5H2,1-2H3.
What are the key properties of methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylcarbamate?
methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylcarbamate has a molecular weight of 332.33 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylcarbamate is sourced from PubChem (CID 22621145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).