N-propyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide

C12H23N5O2 — CID 106969227

IUPACN-propyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
SMILESCCCNC(=O)CNc1nnc(C(C)NCCC)o1
InChIInChI=1S/C12H23N5O2/c1-4-6-13-9(3)11-16-17-12(19-11)15-8-10(18)14-7-5-2/h9,13H,4-8H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyZTRAOPUIVYGGAL-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.07
Rot. Bonds9

About N-propyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide

N-propyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide (PubChem CID 106969227) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-propyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-propyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
PubChem CID106969227
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC NameN-propyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
SMILESCCCNC(=O)CNc1nnc(C(C)NCCC)o1
InChIInChI=1S/C12H23N5O2/c1-4-6-13-9(3)11-16-17-12(19-11)15-8-10(18)14-7-5-2/h9,13H,4-8H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyZTRAOPUIVYGGAL-UHFFFAOYSA-N
XLogP1.07
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide?
The IUPAC name of N-propyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide (CID 106969227) is N-propyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide.
What is the SMILES notation for N-propyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide?
The canonical SMILES for N-propyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide is CCCNC(=O)CNc1nnc(C(C)NCCC)o1.
What is the InChIKey of N-propyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide?
The InChIKey is ZTRAOPUIVYGGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-4-6-13-9(3)11-16-17-12(19-11)15-8-10(18)14-7-5-2/h9,13H,4-8H2,1-3H3,(H,14,18)(H,15,17).
What are the key properties of N-propyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide?
N-propyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide has a molecular weight of 269.35 g/mol, XLogP of 1.07, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide is sourced from PubChem (CID 106969227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).