N-(2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

C13H20N4O2 — CID 67463290

IUPACN-(2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESO=C(NCCN1CCCC1)c1noc2c1CNCC2
InChIInChI=1S/C13H20N4O2/c18-13(15-5-8-17-6-1-2-7-17)12-10-9-14-4-3-11(10)19-16-12/h14H,1-9H2,(H,15,18)
InChIKeyACRLBFHIOKMLNF-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.15
Rot. Bonds4

About N-(2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

N-(2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 67463290) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
PubChem CID67463290
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESO=C(NCCN1CCCC1)c1noc2c1CNCC2
InChIInChI=1S/C13H20N4O2/c18-13(15-5-8-17-6-1-2-7-17)12-10-9-14-4-3-11(10)19-16-12/h14H,1-9H2,(H,15,18)
InChIKeyACRLBFHIOKMLNF-UHFFFAOYSA-N
XLogP0.15
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide with MolForge

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Related Compounds

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N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (CID 67463290) is N-(2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is O=C(NCCN1CCCC1)c1noc2c1CNCC2.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is ACRLBFHIOKMLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-13(15-5-8-17-6-1-2-7-17)12-10-9-14-4-3-11(10)19-16-12/h14H,1-9H2,(H,15,18).
What are the key properties of N-(2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
N-(2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 67463290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).