ethyl N-[3-[4-(4,4-difluorobut-3-enyl)-5-oxo-1,3,4-oxadiazol-2-yl]phenyl]carbamate

C15H15F2N3O4 — CID 139972609

IUPACethyl N-[3-[4-(4,4-difluorobut-3-enyl)-5-oxo-1,3,4-oxadiazol-2-yl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(-c2nn(CCC=C(F)F)c(=O)o2)c1
InChIInChI=1S/C15H15F2N3O4/c1-2-23-14(21)18-11-6-3-5-10(9-11)13-19-20(15(22)24-13)8-4-7-12(16)17/h3,5-7,9H,2,4,8H2,1H3,(H,18,21)
InChIKeyDBYANNXFCGWTMS-UHFFFAOYSA-N
MW339.30 g/mol
LogP3.24
Rot. Bonds6

About ethyl N-[3-[4-(4,4-difluorobut-3-enyl)-5-oxo-1,3,4-oxadiazol-2-yl]phenyl]carbamate

ethyl N-[3-[4-(4,4-difluorobut-3-enyl)-5-oxo-1,3,4-oxadiazol-2-yl]phenyl]carbamate (PubChem CID 139972609) has the molecular formula C15H15F2N3O4 and a molecular weight of 339.30 g/mol. Its IUPAC name is ethyl N-[3-[4-(4,4-difluorobut-3-enyl)-5-oxo-1,3,4-oxadiazol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[4-(4,4-difluorobut-3-enyl)-5-oxo-1,3,4-oxadiazol-2-yl]phenyl]carbamate
PubChem CID139972609
Molecular FormulaC15H15F2N3O4
Molecular Weight339.30 g/mol
Exact Mass339.10
IUPAC Nameethyl N-[3-[4-(4,4-difluorobut-3-enyl)-5-oxo-1,3,4-oxadiazol-2-yl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(-c2nn(CCC=C(F)F)c(=O)o2)c1
InChIInChI=1S/C15H15F2N3O4/c1-2-23-14(21)18-11-6-3-5-10(9-11)13-19-20(15(22)24-13)8-4-7-12(16)17/h3,5-7,9H,2,4,8H2,1H3,(H,18,21)
InChIKeyDBYANNXFCGWTMS-UHFFFAOYSA-N
XLogP3.24
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl N-[3-[4-(4,4-difluorobut-3-enyl)-5-oxo-1,3,4-oxadiazol-2-yl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
ethyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]carbamate
CID 45017389
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 27040368
ethyl N-[3-[[3-[3-(4-aminobutanoylamino)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 59406681
ethyl N-[3-[[3-(3-bromophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 16747373
ethyl N-[3-[[6-oxo-3-(3,4,5-trifluorophenyl)pyridazin-1-yl]methyl]phenyl]carbamate
CID 59406821
ethyl N-[3-(difluoromethoxy)phenyl]carbamate
CID 61062462
3-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)propanamide
CID 51108219
2-methyl-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-enamide
CID 71999088
3-butyl-5-phenyl-1,3,4-oxadiazol-2-one
CID 14816002

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[4-(4,4-difluorobut-3-enyl)-5-oxo-1,3,4-oxadiazol-2-yl]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[4-(4,4-difluorobut-3-enyl)-5-oxo-1,3,4-oxadiazol-2-yl]phenyl]carbamate (CID 139972609) is ethyl N-[3-[4-(4,4-difluorobut-3-enyl)-5-oxo-1,3,4-oxadiazol-2-yl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[4-(4,4-difluorobut-3-enyl)-5-oxo-1,3,4-oxadiazol-2-yl]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[4-(4,4-difluorobut-3-enyl)-5-oxo-1,3,4-oxadiazol-2-yl]phenyl]carbamate is CCOC(=O)Nc1cccc(-c2nn(CCC=C(F)F)c(=O)o2)c1.
What is the InChIKey of ethyl N-[3-[4-(4,4-difluorobut-3-enyl)-5-oxo-1,3,4-oxadiazol-2-yl]phenyl]carbamate?
The InChIKey is DBYANNXFCGWTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O4/c1-2-23-14(21)18-11-6-3-5-10(9-11)13-19-20(15(22)24-13)8-4-7-12(16)17/h3,5-7,9H,2,4,8H2,1H3,(H,18,21).
What are the key properties of ethyl N-[3-[4-(4,4-difluorobut-3-enyl)-5-oxo-1,3,4-oxadiazol-2-yl]phenyl]carbamate?
ethyl N-[3-[4-(4,4-difluorobut-3-enyl)-5-oxo-1,3,4-oxadiazol-2-yl]phenyl]carbamate has a molecular weight of 339.30 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[4-(4,4-difluorobut-3-enyl)-5-oxo-1,3,4-oxadiazol-2-yl]phenyl]carbamate is sourced from PubChem (CID 139972609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).