1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one

C15H19N5O4 — CID 165422931

IUPAC1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
SMILESCCc1nc(C)c(C(=O)N2CCC3(C2)Cn2c(n[nH]c2=O)CO3)o1
InChIInChI=1S/C15H19N5O4/c1-3-11-16-9(2)12(24-11)13(21)19-5-4-15(7-19)8-20-10(6-23-15)17-18-14(20)22/h3-8H2,1-2H3,(H,18,22)
InChIKeyASNPRDICCOUUKZ-UHFFFAOYSA-N
MW333.35 g/mol
LogP0.25
Rot. Bonds2

About 1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one

1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one (PubChem CID 165422931) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is 1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
PubChem CID165422931
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC Name1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
SMILESCCc1nc(C)c(C(=O)N2CCC3(C2)Cn2c(n[nH]c2=O)CO3)o1
InChIInChI=1S/C15H19N5O4/c1-3-11-16-9(2)12(24-11)13(21)19-5-4-15(7-19)8-20-10(6-23-15)17-18-14(20)22/h3-8H2,1-2H3,(H,18,22)
InChIKeyASNPRDICCOUUKZ-UHFFFAOYSA-N
XLogP0.25
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one?
The IUPAC name of 1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one (CID 165422931) is 1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one.
What is the SMILES notation for 1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one?
The canonical SMILES for 1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one is CCc1nc(C)c(C(=O)N2CCC3(C2)Cn2c(n[nH]c2=O)CO3)o1.
What is the InChIKey of 1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one?
The InChIKey is ASNPRDICCOUUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4/c1-3-11-16-9(2)12(24-11)13(21)19-5-4-15(7-19)8-20-10(6-23-15)17-18-14(20)22/h3-8H2,1-2H3,(H,18,22).
What are the key properties of 1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one?
1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one has a molecular weight of 333.35 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one is sourced from PubChem (CID 165422931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).