1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpyrrolidine-2-carboxamide

C12H19N5O2 — CID 106959892

IUPAC1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1nnc(CNC2CC2)o1
InChIInChI=1S/C12H19N5O2/c1-13-11(18)9-3-2-6-17(9)12-16-15-10(19-12)7-14-8-4-5-8/h8-9,14H,2-7H2,1H3,(H,13,18)
InChIKeyFRFUGZGEAUXHEK-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.04
Rot. Bonds5

About 1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpyrrolidine-2-carboxamide

1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 106959892) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpyrrolidine-2-carboxamide
PubChem CID106959892
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1nnc(CNC2CC2)o1
InChIInChI=1S/C12H19N5O2/c1-13-11(18)9-3-2-6-17(9)12-16-15-10(19-12)7-14-8-4-5-8/h8-9,14H,2-7H2,1H3,(H,13,18)
InChIKeyFRFUGZGEAUXHEK-UHFFFAOYSA-N
XLogP0.04
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 106959889
N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106965695
N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106969451
N-methyl-1-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 106965704
N-methyl-1-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide
CID 106970901
N-[[5-(2-methylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106969669
N-[[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106962402
N-[[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106965924
4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmorpholine-3-carboxamide
CID 106963772
N-[[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106960974
N-[[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106963915
N-[[5-(2,3,5-trimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106965446

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpyrrolidine-2-carboxamide (CID 106959892) is 1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1c1nnc(CNC2CC2)o1.
What is the InChIKey of 1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is FRFUGZGEAUXHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-13-11(18)9-3-2-6-17(9)12-16-15-10(19-12)7-14-8-4-5-8/h8-9,14H,2-7H2,1H3,(H,13,18).
What are the key properties of 1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpyrrolidine-2-carboxamide?
1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106959892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).