methyl N-[2-fluoro-5-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate

C16H14FN3O3S — CID 71985213

IUPACmethyl N-[2-fluoro-5-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cc(NCc2ncc(-c3cccs3)o2)ccc1F
InChIInChI=1S/C16H14FN3O3S/c1-22-16(21)20-12-7-10(4-5-11(12)17)18-9-15-19-8-13(23-15)14-3-2-6-24-14/h2-8,18H,9H2,1H3,(H,20,21)
InChIKeyCUYPHPJSBNEVNP-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.33
Rot. Bonds5

About methyl N-[2-fluoro-5-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate

methyl N-[2-fluoro-5-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate (PubChem CID 71985213) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is methyl N-[2-fluoro-5-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-fluoro-5-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate
PubChem CID71985213
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC Namemethyl N-[2-fluoro-5-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cc(NCc2ncc(-c3cccs3)o2)ccc1F
InChIInChI=1S/C16H14FN3O3S/c1-22-16(21)20-12-7-10(4-5-11(12)17)18-9-15-19-8-13(23-15)14-3-2-6-24-14/h2-8,18H,9H2,1H3,(H,20,21)
InChIKeyCUYPHPJSBNEVNP-UHFFFAOYSA-N
XLogP4.33
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl N-[2-fluoro-5-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]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

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-fluoro-5-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate?
The IUPAC name of methyl N-[2-fluoro-5-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate (CID 71985213) is methyl N-[2-fluoro-5-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[2-fluoro-5-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[2-fluoro-5-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate is COC(=O)Nc1cc(NCc2ncc(-c3cccs3)o2)ccc1F.
What is the InChIKey of methyl N-[2-fluoro-5-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate?
The InChIKey is CUYPHPJSBNEVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c1-22-16(21)20-12-7-10(4-5-11(12)17)18-9-15-19-8-13(23-15)14-3-2-6-24-14/h2-8,18H,9H2,1H3,(H,20,21).
What are the key properties of methyl N-[2-fluoro-5-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate?
methyl N-[2-fluoro-5-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate has a molecular weight of 347.37 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-fluoro-5-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate is sourced from PubChem (CID 71985213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).