3-amino-N-(2-cyano-4-fluorophenyl)oxolane-3-carboxamide

C12H12FN3O2 — CID 82016621

IUPAC3-amino-N-(2-cyano-4-fluorophenyl)oxolane-3-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)C1(N)CCOC1
InChIInChI=1S/C12H12FN3O2/c13-9-1-2-10(8(5-9)6-14)16-11(17)12(15)3-4-18-7-12/h1-2,5H,3-4,7,15H2,(H,16,17)
InChIKeySDPQTDXLUDPOPW-UHFFFAOYSA-N
MW249.24 g/mol
LogP0.75
Rot. Bonds2

About 3-amino-N-(2-cyano-4-fluorophenyl)oxolane-3-carboxamide

3-amino-N-(2-cyano-4-fluorophenyl)oxolane-3-carboxamide (PubChem CID 82016621) has the molecular formula C12H12FN3O2 and a molecular weight of 249.24 g/mol. Its IUPAC name is 3-amino-N-(2-cyano-4-fluorophenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-cyano-4-fluorophenyl)oxolane-3-carboxamide
PubChem CID82016621
Molecular FormulaC12H12FN3O2
Molecular Weight249.24 g/mol
Exact Mass249.09
IUPAC Name3-amino-N-(2-cyano-4-fluorophenyl)oxolane-3-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)C1(N)CCOC1
InChIInChI=1S/C12H12FN3O2/c13-9-1-2-10(8(5-9)6-14)16-11(17)12(15)3-4-18-7-12/h1-2,5H,3-4,7,15H2,(H,16,17)
InChIKeySDPQTDXLUDPOPW-UHFFFAOYSA-N
XLogP0.75
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(2-cyano-4-fluorophenyl)oxolane-3-carboxamide 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

1-(aminomethyl)-N-(2-cyano-4-fluorophenyl)cyclopropane-1-carboxamide
CID 82016106
4-amino-N-(2-cyanophenyl)oxane-4-carboxamide
CID 113280537
3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
CID 65485523
N-(2-cyano-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide
CID 82683758
4-amino-N-(3-cyano-4-fluorophenyl)oxane-4-carboxamide
CID 115294803
3-amino-N-(2,4-dichlorophenyl)oxolane-3-carboxamide
CID 64892685
1-(2-cyano-4-fluorophenyl)-3-[(4-phenyloxan-4-yl)methyl]urea
CID 78896439
4-amino-N-(2-chloro-4-cyanophenyl)oxane-4-carboxamide
CID 107808130
N-(2-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 104597157
3-amino-N-(3-fluoro-4-pyridinyl)oxolane-3-carboxamide
CID 107594990
N-(2-cyano-4-fluorophenyl)-1,4-dioxane-2-carboxamide
CID 79954692
N-(2-cyano-4-fluorophenyl)oxane-3-carboxamide
CID 79953095

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyano-4-fluorophenyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(2-cyano-4-fluorophenyl)oxolane-3-carboxamide (CID 82016621) is 3-amino-N-(2-cyano-4-fluorophenyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(2-cyano-4-fluorophenyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(2-cyano-4-fluorophenyl)oxolane-3-carboxamide is N#Cc1cc(F)ccc1NC(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-(2-cyano-4-fluorophenyl)oxolane-3-carboxamide?
The InChIKey is SDPQTDXLUDPOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c13-9-1-2-10(8(5-9)6-14)16-11(17)12(15)3-4-18-7-12/h1-2,5H,3-4,7,15H2,(H,16,17).
What are the key properties of 3-amino-N-(2-cyano-4-fluorophenyl)oxolane-3-carboxamide?
3-amino-N-(2-cyano-4-fluorophenyl)oxolane-3-carboxamide has a molecular weight of 249.24 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyano-4-fluorophenyl)oxolane-3-carboxamide is sourced from PubChem (CID 82016621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).