3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]-1-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-one

C14H16N6O2 — CID 162394970

IUPAC3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]-1-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-one
SMILESNCCCc1nnc(CCC(=O)c2nc3ncccc3[nH]2)o1
InChIInChI=1S/C14H16N6O2/c15-7-1-4-11-19-20-12(22-11)6-5-10(21)14-17-9-3-2-8-16-13(9)18-14/h2-3,8H,1,4-7,15H2,(H,16,17,18)
InChIKeyGMTXMWRVEUSOBR-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.05
Rot. Bonds7

About 3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]-1-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-one

3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]-1-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-one (PubChem CID 162394970) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]-1-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]-1-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-one
PubChem CID162394970
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]-1-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-one
SMILESNCCCc1nnc(CCC(=O)c2nc3ncccc3[nH]2)o1
InChIInChI=1S/C14H16N6O2/c15-7-1-4-11-19-20-12(22-11)6-5-10(21)14-17-9-3-2-8-16-13(9)18-14/h2-3,8H,1,4-7,15H2,(H,16,17,18)
InChIKeyGMTXMWRVEUSOBR-UHFFFAOYSA-N
XLogP1.05
TPSA123.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]-1-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-one?
The IUPAC name of 3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]-1-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-one (CID 162394970) is 3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]-1-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-one.
What is the SMILES notation for 3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]-1-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-one?
The canonical SMILES for 3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]-1-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-one is NCCCc1nnc(CCC(=O)c2nc3ncccc3[nH]2)o1.
What is the InChIKey of 3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]-1-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-one?
The InChIKey is GMTXMWRVEUSOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c15-7-1-4-11-19-20-12(22-11)6-5-10(21)14-17-9-3-2-8-16-13(9)18-14/h2-3,8H,1,4-7,15H2,(H,16,17,18).
What are the key properties of 3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]-1-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-one?
3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]-1-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-one has a molecular weight of 300.32 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]-1-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-one is sourced from PubChem (CID 162394970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).