(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

C18H19N5O2 — CID 120730112

IUPAC(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCNCC2c2cccnc2)c2c(C)noc2n1
InChIInChI=1S/C18H19N5O2/c1-11-8-14(16-12(2)22-25-17(16)21-11)18(24)23-7-6-20-10-15(23)13-4-3-5-19-9-13/h3-5,8-9,15,20H,6-7,10H2,1-2H3
InChIKeyMPBHAAMKFTZVEX-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.02
Rot. Bonds2

About (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120730112) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120730112
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCNCC2c2cccnc2)c2c(C)noc2n1
InChIInChI=1S/C18H19N5O2/c1-11-8-14(16-12(2)22-25-17(16)21-11)18(24)23-7-6-20-10-15(23)13-4-3-5-19-9-13/h3-5,8-9,15,20H,6-7,10H2,1-2H3
InChIKeyMPBHAAMKFTZVEX-UHFFFAOYSA-N
XLogP2.02
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)methanone
CID 126834615
(7-fluoro-2-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728867
[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729069
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728919
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350
(4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120731327
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732156
(5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732206
(2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729758
[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728895
(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730877

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120730112) is (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is Cc1cc(C(=O)N2CCNCC2c2cccnc2)c2c(C)noc2n1.
What is the InChIKey of (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is MPBHAAMKFTZVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11-8-14(16-12(2)22-25-17(16)21-11)18(24)23-7-6-20-10-15(23)13-4-3-5-19-9-13/h3-5,8-9,15,20H,6-7,10H2,1-2H3.
What are the key properties of (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 337.38 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120730112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).