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

C27H28N4O3 — CID 44821844

IUPAC[6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(Cc4cccc(C)c4)CC3)c3c(C)noc3n2)cc1
InChIInChI=1S/C27H28N4O3/c1-18-5-4-6-20(15-18)17-30-11-13-31(14-12-30)27(32)23-16-24(21-7-9-22(33-3)10-8-21)28-26-25(23)19(2)29-34-26/h4-10,15-16H,11-14,17H2,1-3H3
InChIKeyGBYYCUXDTYXTHV-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.47
Rot. Bonds5

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

[6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 44821844) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is [6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID44821844
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC Name[6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(Cc4cccc(C)c4)CC3)c3c(C)noc3n2)cc1
InChIInChI=1S/C27H28N4O3/c1-18-5-4-6-20(15-18)17-30-11-13-31(14-12-30)27(32)23-16-24(21-7-9-22(33-3)10-8-21)28-26-25(23)19(2)29-34-26/h4-10,15-16H,11-14,17H2,1-3H3
InChIKeyGBYYCUXDTYXTHV-UHFFFAOYSA-N
XLogP4.47
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

(4-benzylpiperazin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 30697310
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 44822021
[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 134036741
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 35962961
(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 24644677
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 44821884
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 55405887
[3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 44824847
ethyl 4-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazine-1-carboxylate
CID 45493259
ethyl 6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 2346898
[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 51853158
[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 86905236

Frequently Asked Questions

What is the IUPAC name of [6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone (CID 44821844) is [6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCN(Cc4cccc(C)c4)CC3)c3c(C)noc3n2)cc1.
What is the InChIKey of [6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is GBYYCUXDTYXTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-18-5-4-6-20(15-18)17-30-11-13-31(14-12-30)27(32)23-16-24(21-7-9-22(33-3)10-8-21)28-26-25(23)19(2)29-34-26/h4-10,15-16H,11-14,17H2,1-3H3.
What are the key properties of [6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
[6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 456.55 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 44821844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).