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

C15H18FN3O2 — CID 82683106

IUPACN-(2-cyano-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C15H18FN3O2/c1-2-5-18-14-9-21-8-12(14)15(20)19-13-4-3-11(16)6-10(13)7-17/h3-4,6,12,14,18H,2,5,8-9H2,1H3,(H,19,20)
InChIKeyQZIWKXGWQGTWQC-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.65
Rot. Bonds5

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

N-(2-cyano-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide (PubChem CID 82683106) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
PubChem CID82683106
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN-(2-cyano-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C15H18FN3O2/c1-2-5-18-14-9-21-8-12(14)15(20)19-13-4-3-11(16)6-10(13)7-17/h3-4,6,12,14,18H,2,5,8-9H2,1H3,(H,19,20)
InChIKeyQZIWKXGWQGTWQC-UHFFFAOYSA-N
XLogP1.65
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-cyano-4-fluorophenyl)-4-(propylamino)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

N-(2-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 82016739
N-(2-bromo-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254786
N-(4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255163
N-(2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259805
N-(2,4-dimethylphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254391
N-(4-bromo-2-ethylphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 81287725
N-(3-fluoro-4-pyridinyl)-4-(propylamino)oxolane-3-carboxamide
CID 107594898
N-(2-chloro-4-iodophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254611
N-(4-bromo-2-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 82708526
N-(2-bromo-5-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 107625654
N-(2-ethoxy-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259259
N-(2-hydroxy-5-methoxyphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 102695461

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide (CID 82683106) is N-(2-cyano-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)Nc1ccc(F)cc1C#N.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is QZIWKXGWQGTWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-2-5-18-14-9-21-8-12(14)15(20)19-13-4-3-11(16)6-10(13)7-17/h3-4,6,12,14,18H,2,5,8-9H2,1H3,(H,19,20).
What are the key properties of N-(2-cyano-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide?
N-(2-cyano-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 82683106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).