3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(triazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide

C17H19FN6O3 — CID 135091896

IUPAC3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(triazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCOc1cc(-c2onc(N(C)C)c2C(=O)NCCn2ccnn2)ccc1F
InChIInChI=1S/C17H19FN6O3/c1-23(2)16-14(17(25)19-6-8-24-9-7-20-22-24)15(27-21-16)11-4-5-12(18)13(10-11)26-3/h4-5,7,9-10H,6,8H2,1-3H3,(H,19,25)
InChIKeyBXYCSPXLLIOQDR-UHFFFAOYSA-N
MW374.38 g/mol
LogP1.58
Rot. Bonds7

About 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(triazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(triazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 135091896) has the molecular formula C17H19FN6O3 and a molecular weight of 374.38 g/mol. Its IUPAC name is 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(triazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(triazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide
PubChem CID135091896
Molecular FormulaC17H19FN6O3
Molecular Weight374.38 g/mol
Exact Mass374.15
IUPAC Name3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(triazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCOc1cc(-c2onc(N(C)C)c2C(=O)NCCn2ccnn2)ccc1F
InChIInChI=1S/C17H19FN6O3/c1-23(2)16-14(17(25)19-6-8-24-9-7-20-22-24)15(27-21-16)11-4-5-12(18)13(10-11)26-3/h4-5,7,9-10H,6,8H2,1-3H3,(H,19,25)
InChIKeyBXYCSPXLLIOQDR-UHFFFAOYSA-N
XLogP1.58
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(triazol-1-yl)ethyl]-1,2-oxazole-4-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

3-(dimethylamino)-N-[3-(dimethylamino)-3-oxopropyl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide
CID 135090287
3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-(4-hydroxybutyl)-1,2-oxazole-4-carboxamide
CID 135117414
3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-(3-methoxybutyl)-1,2-oxazole-4-carboxamide
CID 135107775
3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 135097903
3-(dimethylamino)-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide
CID 135116547
3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(hydroxymethyl)-3-methylbutyl]-1,2-oxazole-4-carboxamide
CID 135097193
3-(dimethylamino)-N-ethyl-5-(4-fluoro-3-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide
CID 135108212
3-(dimethylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide
CID 135113795
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide
CID 135088759
3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-(morpholin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 135097884
3-(dimethylamino)-N-(1-ethylpiperidin-3-yl)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide
CID 135093405
3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[(1S,3R)-3-(hydroxymethyl)cyclohexyl]-1,2-oxazole-4-carboxamide
CID 135107726

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(triazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(triazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide (CID 135091896) is 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(triazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(triazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(triazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide is COc1cc(-c2onc(N(C)C)c2C(=O)NCCn2ccnn2)ccc1F.
What is the InChIKey of 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(triazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is BXYCSPXLLIOQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O3/c1-23(2)16-14(17(25)19-6-8-24-9-7-20-22-24)15(27-21-16)11-4-5-12(18)13(10-11)26-3/h4-5,7,9-10H,6,8H2,1-3H3,(H,19,25).
What are the key properties of 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(triazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(triazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 374.38 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(triazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 135091896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).