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

C20H22N4O2 — CID 46270762

IUPAC(2,5-dimethylphenyl)-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
SMILESCc1ccc(C)c(C(=O)N2CCN(c3nc4nc(C)ccc4o3)CC2)c1
InChIInChI=1S/C20H22N4O2/c1-13-4-5-14(2)16(12-13)19(25)23-8-10-24(11-9-23)20-22-18-17(26-20)7-6-15(3)21-18/h4-7,12H,8-11H2,1-3H3
InChIKeyPCUPOIQUESKCHY-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.11
Rot. Bonds2

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

(2,5-dimethylphenyl)-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone (PubChem CID 46270762) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
PubChem CID46270762
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(2,5-dimethylphenyl)-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
SMILESCc1ccc(C)c(C(=O)N2CCN(c3nc4nc(C)ccc4o3)CC2)c1
InChIInChI=1S/C20H22N4O2/c1-13-4-5-14(2)16(12-13)19(25)23-8-10-24(11-9-23)20-22-18-17(26-20)7-6-15(3)21-18/h4-7,12H,8-11H2,1-3H3
InChIKeyPCUPOIQUESKCHY-UHFFFAOYSA-N
XLogP3.11
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 46270760
(3-fluoro-4-iodophenyl)-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 170942934
tert-butyl 4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate
CID 175653793
[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-(2-pentan-3-yl-1,3-benzoxazol-6-yl)methanone
CID 155192947
[4-(1-tert-butyl-1,2,4-triazol-3-yl)phenyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 155192881
(2,5-dimethylphenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699516
(2,5-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121053805
[6-(4-tert-butylpyrazol-1-yl)-5-methyl-3-pyridinyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 155193019
(2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2110630
(2,5-dimethylphenyl)-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70702820
3-(4-methoxyphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]propan-1-one
CID 163340048
5-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carbonyl]-2-(2H-triazol-4-yl)benzonitrile
CID 170942937

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylphenyl)-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone (CID 46270762) is (2,5-dimethylphenyl)-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylphenyl)-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone is Cc1ccc(C)c(C(=O)N2CCN(c3nc4nc(C)ccc4o3)CC2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone?
The InChIKey is PCUPOIQUESKCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-4-5-14(2)16(12-13)19(25)23-8-10-24(11-9-23)20-22-18-17(26-20)7-6-15(3)21-18/h4-7,12H,8-11H2,1-3H3.
What are the key properties of (2,5-dimethylphenyl)-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone?
(2,5-dimethylphenyl)-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone has a molecular weight of 350.42 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 46270762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).