formic acid;3-[3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one

C14H19N5O5 — CID 163340474

About formic acid;3-[3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one

formic acid;3-[3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 163340474) has the molecular formula C14H19N5O5 and a molecular weight of 337.34 g/mol. Its IUPAC name is formic acid;3-[3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

• Compound Name: formic acid;3-[3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one
• PubChem CID: 163340474
• Molecular Formula: C14H19N5O5
• Molecular Weight: 337.34 g/mol
• Exact Mass: 337.14
• IUPAC Name: formic acid;3-[3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one
• SMILES: Cc1cc(C2CCCN2C(=O)CCc2n[nH]c(=O)[nH]2)on1.O=CO
• InChI: InChI=1S/C13H17N5O3.CH2O2/c1-8-7-10(21-17-8)9-3-2-6-18(9)12(19)5-4-11-14-13(20)16-15-11;2-1-3/h7,9H,2-6H2,1H3,(H2,14,15,16,20);1H,(H,2,3)
• InChIKey: KOPCVXFGRJQWDK-UHFFFAOYSA-N
• XLogP: 0.39
• TPSA: 145.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.34
LogP ≤ 5	0.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of formic acid;3-[3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one?

The IUPAC name of formic acid;3-[3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 163340474) is formic acid;3-[3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one.

What is the SMILES notation for formic acid;3-[3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one?

The canonical SMILES for formic acid;3-[3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one is Cc1cc(C2CCCN2C(=O)CCc2n[nH]c(=O)[nH]2)on1.O=CO.

What is the InChIKey of formic acid;3-[3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one?

The InChIKey is KOPCVXFGRJQWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3.CH2O2/c1-8-7-10(21-17-8)9-3-2-6-18(9)12(19)5-4-11-14-13(20)16-15-11;2-1-3/h7,9H,2-6H2,1H3,(H2,14,15,16,20);1H,(H,2,3).

What are the key properties of formic acid;3-[3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one?

formic acid;3-[3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 337.34 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;3-[3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 163340474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).