(3,4-dichlorophenyl)-[1-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone

C26H21Cl2N3O3 — CID 55956264

IUPAC(3,4-dichlorophenyl)-[1-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone
SMILESCc1noc2nc(-c3ccccc3)cc(C(=O)N3CCC(C(=O)c4ccc(Cl)c(Cl)c4)CC3)c12
InChIInChI=1S/C26H21Cl2N3O3/c1-15-23-19(14-22(29-25(23)34-30-15)16-5-3-2-4-6-16)26(33)31-11-9-17(10-12-31)24(32)18-7-8-20(27)21(28)13-18/h2-8,13-14,17H,9-12H2,1H3
InChIKeyNZTJNRZLNBTRKZ-UHFFFAOYSA-N
MW494.38 g/mol
LogP6.24
Rot. Bonds4

About (3,4-dichlorophenyl)-[1-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone

(3,4-dichlorophenyl)-[1-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone (PubChem CID 55956264) has the molecular formula C26H21Cl2N3O3 and a molecular weight of 494.38 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[1-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[1-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone
PubChem CID55956264
Molecular FormulaC26H21Cl2N3O3
Molecular Weight494.38 g/mol
Exact Mass493.10
IUPAC Name(3,4-dichlorophenyl)-[1-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone
SMILESCc1noc2nc(-c3ccccc3)cc(C(=O)N3CCC(C(=O)c4ccc(Cl)c(Cl)c4)CC3)c12
InChIInChI=1S/C26H21Cl2N3O3/c1-15-23-19(14-22(29-25(23)34-30-15)16-5-3-2-4-6-16)26(33)31-11-9-17(10-12-31)24(32)18-7-8-20(27)21(28)13-18/h2-8,13-14,17H,9-12H2,1H3
InChIKeyNZTJNRZLNBTRKZ-UHFFFAOYSA-N
XLogP6.24
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.38
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 38031219
(4-benzylpiperazin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 30697310
(3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone
CID 55955997
ethyl 4-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazine-1-carboxylate
CID 45493259
(4-aminopiperidin-1-yl)-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride
CID 119373432
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 38377787
(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 24644677
(3,4-dichlorophenyl)-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methanone
CID 51123065
[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 86905236
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 38033394
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 38199441
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 44822021

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[1-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[1-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone (CID 55956264) is (3,4-dichlorophenyl)-[1-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[1-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[1-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone is Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCC(C(=O)c4ccc(Cl)c(Cl)c4)CC3)c12.
What is the InChIKey of (3,4-dichlorophenyl)-[1-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone?
The InChIKey is NZTJNRZLNBTRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl2N3O3/c1-15-23-19(14-22(29-25(23)34-30-15)16-5-3-2-4-6-16)26(33)31-11-9-17(10-12-31)24(32)18-7-8-20(27)21(28)13-18/h2-8,13-14,17H,9-12H2,1H3.
What are the key properties of (3,4-dichlorophenyl)-[1-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone?
(3,4-dichlorophenyl)-[1-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone has a molecular weight of 494.38 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[1-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 55956264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).