[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone

C25H25ClN4O3 — CID 35962961

IUPAC[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
SMILESCc1cc(-c2cc(C(=O)N3CCN(Cc4cccc(Cl)c4)CC3)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C25H25ClN4O3/c1-15-11-20(17(3)32-15)22-13-21(23-16(2)28-33-24(23)27-22)25(31)30-9-7-29(8-10-30)14-18-5-4-6-19(26)12-18/h4-6,11-13H,7-10,14H2,1-3H3
InChIKeyNZIDCMXEMATPHM-UHFFFAOYSA-N
MW464.95 g/mol
LogP5.02
Rot. Bonds4

About [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone

[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone (PubChem CID 35962961) has the molecular formula C25H25ClN4O3 and a molecular weight of 464.95 g/mol. Its IUPAC name is [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone.

Molecular Properties

Compound Name[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
PubChem CID35962961
Molecular FormulaC25H25ClN4O3
Molecular Weight464.95 g/mol
Exact Mass464.16
IUPAC Name[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
SMILESCc1cc(-c2cc(C(=O)N3CCN(Cc4cccc(Cl)c4)CC3)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C25H25ClN4O3/c1-15-11-20(17(3)32-15)22-13-21(23-16(2)28-33-24(23)27-22)25(31)30-9-7-29(8-10-30)14-18-5-4-6-19(26)12-18/h4-6,11-13H,7-10,14H2,1-3H3
InChIKeyNZIDCMXEMATPHM-UHFFFAOYSA-N
XLogP5.02
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.95
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone with MolForge

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Related Compounds

[6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 44821844
(4-benzylpiperazin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 30697310
(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 24644677
1-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
CID 46697274
[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 134036741
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51176978
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 44821884
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 44822021
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride
CID 120660139
(3-aminopiperidin-1-yl)-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 119379540
[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396940
[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

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The IUPAC name of [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone (CID 35962961) is [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone.
What is the SMILES notation for [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The canonical SMILES for [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone is Cc1cc(-c2cc(C(=O)N3CCN(Cc4cccc(Cl)c4)CC3)c3c(C)noc3n2)c(C)o1.
What is the InChIKey of [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The InChIKey is NZIDCMXEMATPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O3/c1-15-11-20(17(3)32-15)22-13-21(23-16(2)28-33-24(23)27-22)25(31)30-9-7-29(8-10-30)14-18-5-4-6-19(26)12-18/h4-6,11-13H,7-10,14H2,1-3H3.
What are the key properties of [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone has a molecular weight of 464.95 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone is sourced from PubChem (CID 35962961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).