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N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-phenylacetamide

C19H22N6O2 — CID 166276398

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-phenylacetamide
SMILESCc1cc(NC(=O)C(c2ccccc2)N2CCC(c3nncn3C)C2)no1
InChIInChI=1S/C19H22N6O2/c1-13-10-16(23-27-13)21-19(26)17(14-6-4-3-5-7-14)25-9-8-15(11-25)18-22-20-12-24(18)2/h3-7,10,12,15,17H,8-9,11H2,1-2H3,(H,21,23,26)
InChIKeyHTQQLDAWLWUQHI-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.28
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-phenylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-phenylacetamide (PubChem CID 166276398) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-phenylacetamide
PubChem CID166276398
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-phenylacetamide
SMILESCc1cc(NC(=O)C(c2ccccc2)N2CCC(c3nncn3C)C2)no1
InChIInChI=1S/C19H22N6O2/c1-13-10-16(23-27-13)21-19(26)17(14-6-4-3-5-7-14)25-9-8-15(11-25)18-22-20-12-24(18)2/h3-7,10,12,15,17H,8-9,11H2,1-2H3,(H,21,23,26)
InChIKeyHTQQLDAWLWUQHI-UHFFFAOYSA-N
XLogP2.28
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-phenylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-phenylacetamide (CID 166276398) is N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-phenylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-phenylacetamide is Cc1cc(NC(=O)C(c2ccccc2)N2CCC(c3nncn3C)C2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-phenylacetamide?
The InChIKey is HTQQLDAWLWUQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-13-10-16(23-27-13)21-19(26)17(14-6-4-3-5-7-14)25-9-8-15(11-25)18-22-20-12-24(18)2/h3-7,10,12,15,17H,8-9,11H2,1-2H3,(H,21,23,26).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-phenylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-phenylacetamide has a molecular weight of 366.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 166276398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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