1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide

C12H21N5O2 — CID 106967208

IUPAC1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCCCNC(C)c1nnc(N2CCCC2C(N)=O)o1
InChIInChI=1S/C12H21N5O2/c1-3-6-14-8(2)11-15-16-12(19-11)17-7-4-5-9(17)10(13)18/h8-9,14H,3-7H2,1-2H3,(H2,13,18)
InChIKeyUJYAPNFHQQWBIB-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.58
Rot. Bonds6

About 1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide

1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 106967208) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
PubChem CID106967208
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCCCNC(C)c1nnc(N2CCCC2C(N)=O)o1
InChIInChI=1S/C12H21N5O2/c1-3-6-14-8(2)11-15-16-12(19-11)17-7-4-5-9(17)10(13)18/h8-9,14H,3-7H2,1-2H3,(H2,13,18)
InChIKeyUJYAPNFHQQWBIB-UHFFFAOYSA-N
XLogP0.58
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 106970093
3-[1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 106960720
N-[1-[5-(4-propan-2-ylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106962236
N-methyl-1-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide
CID 106970901
[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]morpholin-3-yl]methanol
CID 106965567
3-[1-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 106960724
N-[1-[5-(3-propylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106964294
N-[1-[5-(4,4-dimethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106961747
N-[1-[5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106962292
2-[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]ethanol
CID 106966016
4-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-N-propylmorpholine-3-carboxamide
CID 106963754
3-methyl-1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol
CID 106965217

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide (CID 106967208) is 1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide is CCCNC(C)c1nnc(N2CCCC2C(N)=O)o1.
What is the InChIKey of 1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is UJYAPNFHQQWBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-3-6-14-8(2)11-15-16-12(19-11)17-7-4-5-9(17)10(13)18/h8-9,14H,3-7H2,1-2H3,(H2,13,18).
What are the key properties of 1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide?
1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 106967208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).