N-methyl-2-[3-[1-(1-methylimidazole-2-carbonyl)azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide

C16H21N7O3 — CID 91921555

IUPACN-methyl-2-[3-[1-(1-methylimidazole-2-carbonyl)azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCCC1c1nc(C2CN(C(=O)c3nccn3C)C2)no1
InChIInChI=1S/C16H21N7O3/c1-17-16(25)23-6-3-4-11(23)14-19-12(20-26-14)10-8-22(9-10)15(24)13-18-5-7-21(13)2/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H,17,25)
InChIKeySKRNEFBEQYQGNA-UHFFFAOYSA-N
MW359.39 g/mol
LogP0.52
Rot. Bonds3

About N-methyl-2-[3-[1-(1-methylimidazole-2-carbonyl)azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide

N-methyl-2-[3-[1-(1-methylimidazole-2-carbonyl)azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 91921555) has the molecular formula C16H21N7O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-methyl-2-[3-[1-(1-methylimidazole-2-carbonyl)azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[3-[1-(1-methylimidazole-2-carbonyl)azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
PubChem CID91921555
Molecular FormulaC16H21N7O3
Molecular Weight359.39 g/mol
Exact Mass359.17
IUPAC NameN-methyl-2-[3-[1-(1-methylimidazole-2-carbonyl)azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCCC1c1nc(C2CN(C(=O)c3nccn3C)C2)no1
InChIInChI=1S/C16H21N7O3/c1-17-16(25)23-6-3-4-11(23)14-19-12(20-26-14)10-8-22(9-10)15(24)13-18-5-7-21(13)2/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H,17,25)
InChIKeySKRNEFBEQYQGNA-UHFFFAOYSA-N
XLogP0.52
TPSA109.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-[1-(1-methylimidazole-2-carbonyl)azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-methyl-2-[3-[1-(1-methylimidazole-2-carbonyl)azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (CID 91921555) is N-methyl-2-[3-[1-(1-methylimidazole-2-carbonyl)azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-methyl-2-[3-[1-(1-methylimidazole-2-carbonyl)azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-methyl-2-[3-[1-(1-methylimidazole-2-carbonyl)azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is CNC(=O)N1CCCC1c1nc(C2CN(C(=O)c3nccn3C)C2)no1.
What is the InChIKey of N-methyl-2-[3-[1-(1-methylimidazole-2-carbonyl)azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is SKRNEFBEQYQGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O3/c1-17-16(25)23-6-3-4-11(23)14-19-12(20-26-14)10-8-22(9-10)15(24)13-18-5-7-21(13)2/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H,17,25).
What are the key properties of N-methyl-2-[3-[1-(1-methylimidazole-2-carbonyl)azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
N-methyl-2-[3-[1-(1-methylimidazole-2-carbonyl)azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-[1-(1-methylimidazole-2-carbonyl)azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 91921555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).