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

C22H26N4O3 — CID 120735305

IUPAC[2-(2-methoxyphenyl)piperazin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cc(C)nc2onc(C(C)C)c12
InChIInChI=1S/C22H26N4O3/c1-13(2)20-19-16(11-14(3)24-21(19)29-25-20)22(27)26-10-9-23-12-17(26)15-7-5-6-8-18(15)28-4/h5-8,11,13,17,23H,9-10,12H2,1-4H3
InChIKeyDZHJODGLMDZKRW-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.45
Rot. Bonds4

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

[2-(2-methoxyphenyl)piperazin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone (PubChem CID 120735305) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)piperazin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)piperazin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
PubChem CID120735305
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name[2-(2-methoxyphenyl)piperazin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cc(C)nc2onc(C(C)C)c12
InChIInChI=1S/C22H26N4O3/c1-13(2)20-19-16(11-14(3)24-21(19)29-25-20)22(27)26-10-9-23-12-17(26)15-7-5-6-8-18(15)28-4/h5-8,11,13,17,23H,9-10,12H2,1-4H3
InChIKeyDZHJODGLMDZKRW-UHFFFAOYSA-N
XLogP3.45
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methoxyphenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 120733114
(2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734041
(2,4-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735161
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733613
[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone;hydrochloride
CID 120732866
(2,3-dimethylpiperazin-1-yl)-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
CID 120571521
(2,4-dimethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733692
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730112
(2,5-dimethylpyrazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733241
[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone
CID 120732811
[2-(2-methoxyphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride
CID 120733590
(4-bromo-2-fluorophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120735063

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone (CID 120735305) is [2-(2-methoxyphenyl)piperazin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for [2-(2-methoxyphenyl)piperazin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The canonical SMILES for [2-(2-methoxyphenyl)piperazin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone is COc1ccccc1C1CNCCN1C(=O)c1cc(C)nc2onc(C(C)C)c12.
What is the InChIKey of [2-(2-methoxyphenyl)piperazin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The InChIKey is DZHJODGLMDZKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-13(2)20-19-16(11-14(3)24-21(19)29-25-20)22(27)26-10-9-23-12-17(26)15-7-5-6-8-18(15)28-4/h5-8,11,13,17,23H,9-10,12H2,1-4H3.
What are the key properties of [2-(2-methoxyphenyl)piperazin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
[2-(2-methoxyphenyl)piperazin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone has a molecular weight of 394.48 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)piperazin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 120735305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).