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

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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).