1-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide

C14H16N6O3 — CID 125178826

IUPAC1-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide
SMILESCn1ccn2ncc(C(=O)NCc3noc([C@H]4CCCO4)n3)c12
InChIInChI=1S/C14H16N6O3/c1-19-4-5-20-14(19)9(7-16-20)12(21)15-8-11-17-13(23-18-11)10-3-2-6-22-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,21)/t10-/m1/s1
InChIKeyVYRABJNOULYZJR-SNVBAGLBSA-N
MW316.32 g/mol
LogP0.84
Rot. Bonds4

About 1-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide

1-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 125178826) has the molecular formula C14H16N6O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is 1-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID125178826
Molecular FormulaC14H16N6O3
Molecular Weight316.32 g/mol
Exact Mass316.13
IUPAC Name1-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide
SMILESCn1ccn2ncc(C(=O)NCc3noc([C@H]4CCCO4)n3)c12
InChIInChI=1S/C14H16N6O3/c1-19-4-5-20-14(19)9(7-16-20)12(21)15-8-11-17-13(23-18-11)10-3-2-6-22-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,21)/t10-/m1/s1
InChIKeyVYRABJNOULYZJR-SNVBAGLBSA-N
XLogP0.84
TPSA99.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 95729991
1,5,6-trimethyl-2-oxo-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide
CID 126443305
1-methyl-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 125156952
5-ethyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 125172135
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 121494507
3,5-difluoro-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
CID 118786622
N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 125435120
3-hydroxy-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
CID 125437836
5-methyl-4-oxo-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 154570551
N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 92903025
2-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzothiophene-3-carboxamide
CID 155502417
7-fluoro-2-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]quinoline-4-carboxamide
CID 96571082

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of 1-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide (CID 125178826) is 1-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for 1-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for 1-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide is Cn1ccn2ncc(C(=O)NCc3noc([C@H]4CCCO4)n3)c12.
What is the InChIKey of 1-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is VYRABJNOULYZJR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N6O3/c1-19-4-5-20-14(19)9(7-16-20)12(21)15-8-11-17-13(23-18-11)10-3-2-6-22-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,21)/t10-/m1/s1.
What are the key properties of 1-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide?
1-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 125178826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).