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

C12H15F2N3O3 — CID 155255211

IUPACN-[1-(difluoromethoxymethyl)cyclopropyl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESO=C(NC1(COC(F)F)CC1)c1noc2c1CNCC2
InChIInChI=1S/C12H15F2N3O3/c13-11(14)19-6-12(2-3-12)16-10(18)9-7-5-15-4-1-8(7)20-17-9/h11,15H,1-6H2,(H,16,18)
InChIKeyWFSYZVQCVZIPRO-UHFFFAOYSA-N
MW287.27 g/mol
LogP0.82
Rot. Bonds5

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

N-[1-(difluoromethoxymethyl)cyclopropyl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 155255211) has the molecular formula C12H15F2N3O3 and a molecular weight of 287.27 g/mol. Its IUPAC name is N-[1-(difluoromethoxymethyl)cyclopropyl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(difluoromethoxymethyl)cyclopropyl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
PubChem CID155255211
Molecular FormulaC12H15F2N3O3
Molecular Weight287.27 g/mol
Exact Mass287.11
IUPAC NameN-[1-(difluoromethoxymethyl)cyclopropyl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESO=C(NC1(COC(F)F)CC1)c1noc2c1CNCC2
InChIInChI=1S/C12H15F2N3O3/c13-11(14)19-6-12(2-3-12)16-10(18)9-7-5-15-4-1-8(7)20-17-9/h11,15H,1-6H2,(H,16,18)
InChIKeyWFSYZVQCVZIPRO-UHFFFAOYSA-N
XLogP0.82
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethoxymethyl)cyclopropyl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of N-[1-(difluoromethoxymethyl)cyclopropyl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (CID 155255211) is N-[1-(difluoromethoxymethyl)cyclopropyl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(difluoromethoxymethyl)cyclopropyl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(difluoromethoxymethyl)cyclopropyl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is O=C(NC1(COC(F)F)CC1)c1noc2c1CNCC2.
What is the InChIKey of N-[1-(difluoromethoxymethyl)cyclopropyl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is WFSYZVQCVZIPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O3/c13-11(14)19-6-12(2-3-12)16-10(18)9-7-5-15-4-1-8(7)20-17-9/h11,15H,1-6H2,(H,16,18).
What are the key properties of N-[1-(difluoromethoxymethyl)cyclopropyl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
N-[1-(difluoromethoxymethyl)cyclopropyl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 287.27 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethoxymethyl)cyclopropyl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 155255211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).