3-hydroxy-1-methylpyrrolidin-2-one;1-[3-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide

C18H19N5O4 — CID 170575085

About 3-hydroxy-1-methylpyrrolidin-2-one;1-[3-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide

3-hydroxy-1-methylpyrrolidin-2-one;1-[3-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide (PubChem CID 170575085) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is 3-hydroxy-1-methylpyrrolidin-2-one;1-[3-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 3-hydroxy-1-methylpyrrolidin-2-one;1-[3-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide
• PubChem CID: 170575085
• Molecular Formula: C18H19N5O4
• Molecular Weight: 369.38 g/mol
• Exact Mass: 369.14
• IUPAC Name: 3-hydroxy-1-methylpyrrolidin-2-one;1-[3-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide
• SMILES: CN1CCC(O)C1=O.NC(=O)c1ccn(-c2cccc(-c3ccon3)c2)n1
• InChI: InChI=1S/C13H10N4O2.C5H9NO2/c14-13(18)12-4-6-17(15-12)10-3-1-2-9(8-10)11-5-7-19-16-11;1-6-3-2-4(7)5(6)8/h1-8H,(H2,14,18);4,7H,2-3H2,1H3
• InChIKey: LLXKQSXWSPVENZ-UHFFFAOYSA-N
• XLogP: 0.84
• TPSA: 127.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.38
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methylpyrrolidin-2-one;1-[3-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide?

The IUPAC name of 3-hydroxy-1-methylpyrrolidin-2-one;1-[3-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide (CID 170575085) is 3-hydroxy-1-methylpyrrolidin-2-one;1-[3-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide.

What is the SMILES notation for 3-hydroxy-1-methylpyrrolidin-2-one;1-[3-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide?

The canonical SMILES for 3-hydroxy-1-methylpyrrolidin-2-one;1-[3-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide is CN1CCC(O)C1=O.NC(=O)c1ccn(-c2cccc(-c3ccon3)c2)n1.

What is the InChIKey of 3-hydroxy-1-methylpyrrolidin-2-one;1-[3-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide?

The InChIKey is LLXKQSXWSPVENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2.C5H9NO2/c14-13(18)12-4-6-17(15-12)10-3-1-2-9(8-10)11-5-7-19-16-11;1-6-3-2-4(7)5(6)8/h1-8H,(H2,14,18);4,7H,2-3H2,1H3.

What are the key properties of 3-hydroxy-1-methylpyrrolidin-2-one;1-[3-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide?

3-hydroxy-1-methylpyrrolidin-2-one;1-[3-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxy-1-methylpyrrolidin-2-one;1-[3-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 170575085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).