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

C19H17N5O3S — CID 18139021

IUPAC[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1noc2nc(-c3ccco3)cc(C(=O)N3CCN(c4nccs4)CC3)c12
InChIInChI=1S/C19H17N5O3S/c1-12-16-13(11-14(15-3-2-9-26-15)21-17(16)27-22-12)18(25)23-5-7-24(8-6-23)19-20-4-10-28-19/h2-4,9-11H,5-8H2,1H3
InChIKeyAIUNVKHDOAFCNL-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.21
Rot. Bonds3

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

[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 18139021) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is [6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID18139021
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC Name[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1noc2nc(-c3ccco3)cc(C(=O)N3CCN(c4nccs4)CC3)c12
InChIInChI=1S/C19H17N5O3S/c1-12-16-13(11-14(15-3-2-9-26-15)21-17(16)27-22-12)18(25)23-5-7-24(8-6-23)19-20-4-10-28-19/h2-4,9-11H,5-8H2,1H3
InChIKeyAIUNVKHDOAFCNL-UHFFFAOYSA-N
XLogP3.21
TPSA88.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 18139021) is [6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is Cc1noc2nc(-c3ccco3)cc(C(=O)N3CCN(c4nccs4)CC3)c12.
What is the InChIKey of [6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is AIUNVKHDOAFCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-12-16-13(11-14(15-3-2-9-26-15)21-17(16)27-22-12)18(25)23-5-7-24(8-6-23)19-20-4-10-28-19/h2-4,9-11H,5-8H2,1H3.
What are the key properties of [6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 395.44 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 18139021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).