6-(furan-2-yl)-3-methyl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C14H10F3N3O3 — CID 18133213

IUPAC6-(furan-2-yl)-3-methyl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccco3)cc(C(=O)NCC(F)(F)F)c12
InChIInChI=1S/C14H10F3N3O3/c1-7-11-8(12(21)18-6-14(15,16)17)5-9(10-3-2-4-22-10)19-13(11)23-20-7/h2-5H,6H2,1H3,(H,18,21)
InChIKeyXKBVOTNQUINIAT-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.08
Rot. Bonds3

About 6-(furan-2-yl)-3-methyl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(furan-2-yl)-3-methyl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 18133213) has the molecular formula C14H10F3N3O3 and a molecular weight of 325.25 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-methyl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-3-methyl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID18133213
Molecular FormulaC14H10F3N3O3
Molecular Weight325.25 g/mol
Exact Mass325.07
IUPAC Name6-(furan-2-yl)-3-methyl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccco3)cc(C(=O)NCC(F)(F)F)c12
InChIInChI=1S/C14H10F3N3O3/c1-7-11-8(12(21)18-6-14(15,16)17)5-9(10-3-2-4-22-10)19-13(11)23-20-7/h2-5H,6H2,1H3,(H,18,21)
InChIKeyXKBVOTNQUINIAT-UHFFFAOYSA-N
XLogP3.08
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 111463287
N-ethyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47138995
N-butyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46605297
6-(furan-2-yl)-N-hexyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46515720
6-(furan-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17425774
6-(furan-2-yl)-3-methyl-N-[3-(2-methylpropoxy)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18154321
N-[4-(dimethylamino)phenyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17496786
N'-(4-chlorobenzoyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 17475946
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55782068
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17492087
methyl 2-[[2-[4-[[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 55781629
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 39052209

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-methyl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(furan-2-yl)-3-methyl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 18133213) is 6-(furan-2-yl)-3-methyl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-3-methyl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-3-methyl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccco3)cc(C(=O)NCC(F)(F)F)c12.
What is the InChIKey of 6-(furan-2-yl)-3-methyl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XKBVOTNQUINIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O3/c1-7-11-8(12(21)18-6-14(15,16)17)5-9(10-3-2-4-22-10)19-13(11)23-20-7/h2-5H,6H2,1H3,(H,18,21).
What are the key properties of 6-(furan-2-yl)-3-methyl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(furan-2-yl)-3-methyl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3-methyl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 18133213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).