2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-1-carboxamide

C17H19FN4O3 — CID 3602399

IUPAC2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-1-carboxamide
SMILESCc1noc(C)c1C(=O)N1CCCN1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H19FN4O3/c1-11-15(12(2)25-20-11)16(23)21-8-3-9-22(21)17(24)19-10-13-4-6-14(18)7-5-13/h4-7H,3,8-10H2,1-2H3,(H,19,24)
InChIKeyGVYITFRHMURYCV-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.40
Rot. Bonds3

About 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-1-carboxamide

2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-1-carboxamide (PubChem CID 3602399) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-1-carboxamide
PubChem CID3602399
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-1-carboxamide
SMILESCc1noc(C)c1C(=O)N1CCCN1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H19FN4O3/c1-11-15(12(2)25-20-11)16(23)21-8-3-9-22(21)17(24)19-10-13-4-6-14(18)7-5-13/h4-7H,3,8-10H2,1-2H3,(H,19,24)
InChIKeyGVYITFRHMURYCV-UHFFFAOYSA-N
XLogP2.40
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-1-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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 50808693
N-(2,6-diethylphenyl)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxamide
CID 5147270
methyl 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxylate
CID 3413005
1-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]butan-1-one
CID 3741194
N-[(4-fluorophenyl)methyl]-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide
CID 3282085
2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-ylpyrazolidine-1-carbothioamide
CID 23770459
[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 23824938
N-[[4-(hydroxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 107231954
N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715469
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 20855589
3-(4-fluorophenyl)-5-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 55797810
ethyl 5-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]-5-oxopentanoate
CID 3738519

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-1-carboxamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-1-carboxamide (CID 3602399) is 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-1-carboxamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-1-carboxamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-1-carboxamide is Cc1noc(C)c1C(=O)N1CCCN1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-1-carboxamide?
The InChIKey is GVYITFRHMURYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-11-15(12(2)25-20-11)16(23)21-8-3-9-22(21)17(24)19-10-13-4-6-14(18)7-5-13/h4-7H,3,8-10H2,1-2H3,(H,19,24).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-1-carboxamide?
2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-1-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-1-carboxamide is sourced from PubChem (CID 3602399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).