[4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[4-(3-ethoxy-3-methylazetidin-1-yl)phenyl]methanone

C23H26ClN5O3 — CID 155192223

IUPAC[4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[4-(3-ethoxy-3-methylazetidin-1-yl)phenyl]methanone
SMILESCCOC1(C)CN(c2ccc(C(=O)N3CCN(c4nc5nc(Cl)ccc5o4)CC3)cc2)C1
InChIInChI=1S/C23H26ClN5O3/c1-3-31-23(2)14-29(15-23)17-6-4-16(5-7-17)21(30)27-10-12-28(13-11-27)22-26-20-18(32-22)8-9-19(24)25-20/h4-9H,3,10-15H2,1-2H3
InChIKeyVJWBIYGINDSSFU-UHFFFAOYSA-N
MW455.95 g/mol
LogP3.45
Rot. Bonds5

About [4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[4-(3-ethoxy-3-methylazetidin-1-yl)phenyl]methanone

[4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[4-(3-ethoxy-3-methylazetidin-1-yl)phenyl]methanone (PubChem CID 155192223) has the molecular formula C23H26ClN5O3 and a molecular weight of 455.95 g/mol. Its IUPAC name is [4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[4-(3-ethoxy-3-methylazetidin-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[4-(3-ethoxy-3-methylazetidin-1-yl)phenyl]methanone
PubChem CID155192223
Molecular FormulaC23H26ClN5O3
Molecular Weight455.95 g/mol
Exact Mass455.17
IUPAC Name[4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[4-(3-ethoxy-3-methylazetidin-1-yl)phenyl]methanone
SMILESCCOC1(C)CN(c2ccc(C(=O)N3CCN(c4nc5nc(Cl)ccc5o4)CC3)cc2)C1
InChIInChI=1S/C23H26ClN5O3/c1-3-31-23(2)14-29(15-23)17-6-4-16(5-7-17)21(30)27-10-12-28(13-11-27)22-26-20-18(32-22)8-9-19(24)25-20/h4-9H,3,10-15H2,1-2H3
InChIKeyVJWBIYGINDSSFU-UHFFFAOYSA-N
XLogP3.45
TPSA74.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.95
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[4-[1-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]phenyl]methanone
CID 155192157
[4-(1-tert-butyltriazol-4-yl)phenyl]-[4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 155192550
[4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[6-[(3-ethyloxetan-3-yl)methoxy]-5-methyl-3-pyridinyl]methanone
CID 155193098
1-[4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-3-(4-chlorophenyl)prop-2-yn-1-one
CID 155707882
5-chloro-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine
CID 118224361
(4-methylphenyl)-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 46270792
[4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[4-[2-(2,2-dimethylpropyl)triazol-4-yl]-3,5-difluorophenyl]methanone
CID 155707962
[4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-methoxypiperazin-1-yl]-phenylmethanone
CID 175179983
[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 46270760
ethyl 4-[4-(4-methylbenzoyl)piperazin-1-yl]benzoate
CID 113079814
4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-methylpiperazine-1-carboxylic acid
CID 155192416
[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

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[4-(3-ethoxy-3-methylazetidin-1-yl)phenyl]methanone?
The IUPAC name of [4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[4-(3-ethoxy-3-methylazetidin-1-yl)phenyl]methanone (CID 155192223) is [4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[4-(3-ethoxy-3-methylazetidin-1-yl)phenyl]methanone.
What is the SMILES notation for [4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[4-(3-ethoxy-3-methylazetidin-1-yl)phenyl]methanone?
The canonical SMILES for [4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[4-(3-ethoxy-3-methylazetidin-1-yl)phenyl]methanone is CCOC1(C)CN(c2ccc(C(=O)N3CCN(c4nc5nc(Cl)ccc5o4)CC3)cc2)C1.
What is the InChIKey of [4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[4-(3-ethoxy-3-methylazetidin-1-yl)phenyl]methanone?
The InChIKey is VJWBIYGINDSSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O3/c1-3-31-23(2)14-29(15-23)17-6-4-16(5-7-17)21(30)27-10-12-28(13-11-27)22-26-20-18(32-22)8-9-19(24)25-20/h4-9H,3,10-15H2,1-2H3.
What are the key properties of [4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[4-(3-ethoxy-3-methylazetidin-1-yl)phenyl]methanone?
[4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[4-(3-ethoxy-3-methylazetidin-1-yl)phenyl]methanone has a molecular weight of 455.95 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[4-(3-ethoxy-3-methylazetidin-1-yl)phenyl]methanone is sourced from PubChem (CID 155192223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).