[4-(4-methoxyphenyl)piperazin-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone

C21H23N5O3 — CID 109162071

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(Nc4cc(C)on4)nc3)CC2)cc1
InChIInChI=1S/C21H23N5O3/c1-15-13-20(24-29-15)23-19-8-3-16(14-22-19)21(27)26-11-9-25(10-12-26)17-4-6-18(28-2)7-5-17/h3-8,13-14H,9-12H2,1-2H3,(H,22,23,24)
InChIKeyTZURKPOJEKOTMR-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.09
Rot. Bonds5

About [4-(4-methoxyphenyl)piperazin-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone

[4-(4-methoxyphenyl)piperazin-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone (PubChem CID 109162071) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone
PubChem CID109162071
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(Nc4cc(C)on4)nc3)CC2)cc1
InChIInChI=1S/C21H23N5O3/c1-15-13-20(24-29-15)23-19-8-3-16(14-22-19)21(27)26-11-9-25(10-12-26)17-4-6-18(28-2)7-5-17/h3-8,13-14H,9-12H2,1-2H3,(H,22,23,24)
InChIKeyTZURKPOJEKOTMR-UHFFFAOYSA-N
XLogP3.09
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze [4-(4-methoxyphenyl)piperazin-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone
CID 109160970
[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109153778
[6-(3-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109159643
6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109164736
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55917792
[2-(cyclopropylamino)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109247542
[2-(azepan-1-yl)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109264955
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109289419
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-4-pyridinyl]methanone
CID 109174451
1,3-benzoxazol-5-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 110388164
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261137

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone (CID 109162071) is [4-(4-methoxyphenyl)piperazin-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone is COc1ccc(N2CCN(C(=O)c3ccc(Nc4cc(C)on4)nc3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone?
The InChIKey is TZURKPOJEKOTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-15-13-20(24-29-15)23-19-8-3-16(14-22-19)21(27)26-11-9-25(10-12-26)17-4-6-18(28-2)7-5-17/h3-8,13-14H,9-12H2,1-2H3,(H,22,23,24).
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone has a molecular weight of 393.45 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone is sourced from PubChem (CID 109162071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).