N,3-dimethyl-3-[5-(1H-pyrrolo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine

C16H19N5O2 — CID 174176728

IUPACN,3-dimethyl-3-[5-(1H-pyrrolo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine
SMILESCNC1CC(C)(c2nnc(COc3cnc4cc[nH]c4c3)o2)C1
InChIInChI=1S/C16H19N5O2/c1-16(6-10(7-16)17-2)15-21-20-14(23-15)9-22-11-5-13-12(19-8-11)3-4-18-13/h3-5,8,10,17-18H,6-7,9H2,1-2H3
InChIKeyANSNEBJUVSPVGQ-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.16
Rot. Bonds5

About N,3-dimethyl-3-[5-(1H-pyrrolo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine

N,3-dimethyl-3-[5-(1H-pyrrolo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine (PubChem CID 174176728) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N,3-dimethyl-3-[5-(1H-pyrrolo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-3-[5-(1H-pyrrolo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine
PubChem CID174176728
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN,3-dimethyl-3-[5-(1H-pyrrolo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine
SMILESCNC1CC(C)(c2nnc(COc3cnc4cc[nH]c4c3)o2)C1
InChIInChI=1S/C16H19N5O2/c1-16(6-10(7-16)17-2)15-21-20-14(23-15)9-22-11-5-13-12(19-8-11)3-4-18-13/h3-5,8,10,17-18H,6-7,9H2,1-2H3
InChIKeyANSNEBJUVSPVGQ-UHFFFAOYSA-N
XLogP2.16
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-3-[5-(1H-pyrrolo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine?
The IUPAC name of N,3-dimethyl-3-[5-(1H-pyrrolo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine (CID 174176728) is N,3-dimethyl-3-[5-(1H-pyrrolo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine.
What is the SMILES notation for N,3-dimethyl-3-[5-(1H-pyrrolo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine?
The canonical SMILES for N,3-dimethyl-3-[5-(1H-pyrrolo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine is CNC1CC(C)(c2nnc(COc3cnc4cc[nH]c4c3)o2)C1.
What is the InChIKey of N,3-dimethyl-3-[5-(1H-pyrrolo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine?
The InChIKey is ANSNEBJUVSPVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-16(6-10(7-16)17-2)15-21-20-14(23-15)9-22-11-5-13-12(19-8-11)3-4-18-13/h3-5,8,10,17-18H,6-7,9H2,1-2H3.
What are the key properties of N,3-dimethyl-3-[5-(1H-pyrrolo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine?
N,3-dimethyl-3-[5-(1H-pyrrolo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine has a molecular weight of 313.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-3-[5-(1H-pyrrolo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 174176728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).