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

C10H12F3N3O2 — CID 155154976

IUPACN-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESO=C(NCCC(F)(F)F)c1noc2c1CNCC2
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)2-4-15-9(17)8-6-5-14-3-1-7(6)18-16-8/h14H,1-5H2,(H,15,17)
InChIKeyUMMFVOZFYKVKAE-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.00
Rot. Bonds3

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

N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 155154976) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
PubChem CID155154976
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC NameN-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESO=C(NCCC(F)(F)F)c1noc2c1CNCC2
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)2-4-15-9(17)8-6-5-14-3-1-7(6)18-16-8/h14H,1-5H2,(H,15,17)
InChIKeyUMMFVOZFYKVKAE-UHFFFAOYSA-N
XLogP1.00
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (CID 155154976) is N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is O=C(NCCC(F)(F)F)c1noc2c1CNCC2.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is UMMFVOZFYKVKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)2-4-15-9(17)8-6-5-14-3-1-7(6)18-16-8/h14H,1-5H2,(H,15,17).
What are the key properties of N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 263.22 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 155154976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).