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

C24H24FN5O3 — CID 39052209

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccco3)cc(C(=O)NCCN3CCN(c4ccc(F)cc4)CC3)c12
InChIInChI=1S/C24H24FN5O3/c1-16-22-19(15-20(21-3-2-14-32-21)27-24(22)33-28-16)23(31)26-8-9-29-10-12-30(13-11-29)18-6-4-17(25)5-7-18/h2-7,14-15H,8-13H2,1H3,(H,26,31)
InChIKeyGBENXEBRZGACNT-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.48
Rot. Bonds6

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

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 39052209) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID39052209
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccco3)cc(C(=O)NCCN3CCN(c4ccc(F)cc4)CC3)c12
InChIInChI=1S/C24H24FN5O3/c1-16-22-19(15-20(21-3-2-14-32-21)27-24(22)33-28-16)23(31)26-8-9-29-10-12-30(13-11-29)18-6-4-17(25)5-7-18/h2-7,14-15H,8-13H2,1H3,(H,26,31)
InChIKeyGBENXEBRZGACNT-UHFFFAOYSA-N
XLogP3.48
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30134612
N-butyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46605297
N-ethyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47138995
6-(furan-2-yl)-N-hexyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46515720
6-(furan-2-yl)-3-methyl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18133213
6-(furan-2-yl)-3-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30003571
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
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 18149111
6-(furan-2-yl)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 31008041
N-(2-ethyl-2-hydroxybutyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 111463287
6-(furan-2-yl)-3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46632647
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46682070

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 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) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccco3)cc(C(=O)NCCN3CCN(c4ccc(F)cc4)CC3)c12.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is GBENXEBRZGACNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-16-22-19(15-20(21-3-2-14-32-21)27-24(22)33-28-16)23(31)26-8-9-29-10-12-30(13-11-29)18-6-4-17(25)5-7-18/h2-7,14-15H,8-13H2,1H3,(H,26,31).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 449.49 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 39052209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).