[2-[hydroxy-(3-methoxyphenyl)methyl]-5-methyl-1,3-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C22H24N4O4 — CID 134807045

IUPAC[2-[hydroxy-(3-methoxyphenyl)methyl]-5-methyl-1,3-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1cccc(C(O)c2nc(C(=O)N3CCN(c4ccccn4)CC3)c(C)o2)c1
InChIInChI=1S/C22H24N4O4/c1-15-19(24-21(30-15)20(27)16-6-5-7-17(14-16)29-2)22(28)26-12-10-25(11-13-26)18-8-3-4-9-23-18/h3-9,14,20,27H,10-13H2,1-2H3
InChIKeyYCGDTGLGGIGNTD-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.43
Rot. Bonds5

About [2-[hydroxy-(3-methoxyphenyl)methyl]-5-methyl-1,3-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[2-[hydroxy-(3-methoxyphenyl)methyl]-5-methyl-1,3-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 134807045) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is [2-[hydroxy-(3-methoxyphenyl)methyl]-5-methyl-1,3-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[hydroxy-(3-methoxyphenyl)methyl]-5-methyl-1,3-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID134807045
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name[2-[hydroxy-(3-methoxyphenyl)methyl]-5-methyl-1,3-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1cccc(C(O)c2nc(C(=O)N3CCN(c4ccccn4)CC3)c(C)o2)c1
InChIInChI=1S/C22H24N4O4/c1-15-19(24-21(30-15)20(27)16-6-5-7-17(14-16)29-2)22(28)26-12-10-25(11-13-26)18-8-3-4-9-23-18/h3-9,14,20,27H,10-13H2,1-2H3
InChIKeyYCGDTGLGGIGNTD-UHFFFAOYSA-N
XLogP2.43
TPSA91.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[hydroxy-(3-methoxyphenyl)methyl]-5-methyl-1,3-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-[hydroxy-(3-methoxyphenyl)methyl]-5-methyl-1,3-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 134807045) is [2-[hydroxy-(3-methoxyphenyl)methyl]-5-methyl-1,3-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[hydroxy-(3-methoxyphenyl)methyl]-5-methyl-1,3-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[hydroxy-(3-methoxyphenyl)methyl]-5-methyl-1,3-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is COc1cccc(C(O)c2nc(C(=O)N3CCN(c4ccccn4)CC3)c(C)o2)c1.
What is the InChIKey of [2-[hydroxy-(3-methoxyphenyl)methyl]-5-methyl-1,3-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is YCGDTGLGGIGNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-15-19(24-21(30-15)20(27)16-6-5-7-17(14-16)29-2)22(28)26-12-10-25(11-13-26)18-8-3-4-9-23-18/h3-9,14,20,27H,10-13H2,1-2H3.
What are the key properties of [2-[hydroxy-(3-methoxyphenyl)methyl]-5-methyl-1,3-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[2-[hydroxy-(3-methoxyphenyl)methyl]-5-methyl-1,3-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 408.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[hydroxy-(3-methoxyphenyl)methyl]-5-methyl-1,3-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 134807045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).