methyl 2-(2-chlorophenyl)-2-[4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]acetate

C25H23ClN4O5 — CID 55492644

IUPACmethyl 2-(2-chlorophenyl)-2-[4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]acetate
SMILESCOC(=O)C(c1ccccc1Cl)N1CCN(C(=O)c2cc(-c3ccco3)nc3onc(C)c23)CC1
InChIInChI=1S/C25H23ClN4O5/c1-15-21-17(14-19(20-8-5-13-34-20)27-23(21)35-28-15)24(31)30-11-9-29(10-12-30)22(25(32)33-2)16-6-3-4-7-18(16)26/h3-8,13-14,22H,9-12H2,1-2H3
InChIKeyMXKDXZXWZQOCBU-UHFFFAOYSA-N
MW494.94 g/mol
LogP4.12
Rot. Bonds5

About methyl 2-(2-chlorophenyl)-2-[4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]acetate

methyl 2-(2-chlorophenyl)-2-[4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]acetate (PubChem CID 55492644) has the molecular formula C25H23ClN4O5 and a molecular weight of 494.94 g/mol. Its IUPAC name is methyl 2-(2-chlorophenyl)-2-[4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-(2-chlorophenyl)-2-[4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]acetate
PubChem CID55492644
Molecular FormulaC25H23ClN4O5
Molecular Weight494.94 g/mol
Exact Mass494.14
IUPAC Namemethyl 2-(2-chlorophenyl)-2-[4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]acetate
SMILESCOC(=O)C(c1ccccc1Cl)N1CCN(C(=O)c2cc(-c3ccco3)nc3onc(C)c23)CC1
InChIInChI=1S/C25H23ClN4O5/c1-15-21-17(14-19(20-8-5-13-34-20)27-23(21)35-28-15)24(31)30-11-9-29(10-12-30)22(25(32)33-2)16-6-3-4-7-18(16)26/h3-8,13-14,22H,9-12H2,1-2H3
InChIKeyMXKDXZXWZQOCBU-UHFFFAOYSA-N
XLogP4.12
TPSA101.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.94
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-(2-chlorophenyl)-2-[4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]acetate with MolForge

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Related Compounds

methyl 2-(2-chlorophenyl)-2-[4-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]acetate
CID 42932123
methyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate
CID 51328474
N-[[1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methyl]acetamide
CID 55781182
[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 39486941
[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 17413629
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 18149111
6-(furan-2-yl)-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55533054
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
CID 55987669
N'-(4-chlorobenzoyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 17475946
N-cyclohexyl-4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]-N-methylpiperazine-1-sulfonamide
CID 55599282
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 44822021
6-(furan-2-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51872509

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chlorophenyl)-2-[4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-(2-chlorophenyl)-2-[4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]acetate (CID 55492644) is methyl 2-(2-chlorophenyl)-2-[4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-(2-chlorophenyl)-2-[4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-(2-chlorophenyl)-2-[4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]acetate is COC(=O)C(c1ccccc1Cl)N1CCN(C(=O)c2cc(-c3ccco3)nc3onc(C)c23)CC1.
What is the InChIKey of methyl 2-(2-chlorophenyl)-2-[4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]acetate?
The InChIKey is MXKDXZXWZQOCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O5/c1-15-21-17(14-19(20-8-5-13-34-20)27-23(21)35-28-15)24(31)30-11-9-29(10-12-30)22(25(32)33-2)16-6-3-4-7-18(16)26/h3-8,13-14,22H,9-12H2,1-2H3.
What are the key properties of methyl 2-(2-chlorophenyl)-2-[4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]acetate?
methyl 2-(2-chlorophenyl)-2-[4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]acetate has a molecular weight of 494.94 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chlorophenyl)-2-[4-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]acetate is sourced from PubChem (CID 55492644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).