1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one

C26H29N3O5 — CID 55906898

IUPAC1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)CCc3ncc(-c4ccc(C)cc4)o3)CC2)c(OC)c1
InChIInChI=1S/C26H29N3O5/c1-18-4-6-19(7-5-18)23-17-27-24(34-23)10-11-25(30)28-12-14-29(15-13-28)26(31)21-9-8-20(32-2)16-22(21)33-3/h4-9,16-17H,10-15H2,1-3H3
InChIKeyBLYWPIBTLCHHJJ-UHFFFAOYSA-N
MW463.53 g/mol
LogP3.58
Rot. Bonds7

About 1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one

1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one (PubChem CID 55906898) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is 1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
PubChem CID55906898
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC Name1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)CCc3ncc(-c4ccc(C)cc4)o3)CC2)c(OC)c1
InChIInChI=1S/C26H29N3O5/c1-18-4-6-19(7-5-18)23-17-27-24(34-23)10-11-25(30)28-12-14-29(15-13-28)26(31)21-9-8-20(32-2)16-22(21)33-3/h4-9,16-17H,10-15H2,1-3H3
InChIKeyBLYWPIBTLCHHJJ-UHFFFAOYSA-N
XLogP3.58
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 37279378
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 55498471
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[4-(4-methylphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 86867799
(7-methoxynaphthalen-2-yl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 134011939
1-(1,4-diazepan-1-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119414024
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 55686824
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 41248921
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]propan-1-one
CID 46462115
(4-methylphenyl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 30136027
2-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]acetic acid
CID 119178646
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 51304858
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 108533625

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one?
The IUPAC name of 1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one (CID 55906898) is 1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one?
The canonical SMILES for 1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one is COc1ccc(C(=O)N2CCN(C(=O)CCc3ncc(-c4ccc(C)cc4)o3)CC2)c(OC)c1.
What is the InChIKey of 1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one?
The InChIKey is BLYWPIBTLCHHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-18-4-6-19(7-5-18)23-17-27-24(34-23)10-11-25(30)28-12-14-29(15-13-28)26(31)21-9-8-20(32-2)16-22(21)33-3/h4-9,16-17H,10-15H2,1-3H3.
What are the key properties of 1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one?
1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one has a molecular weight of 463.53 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one is sourced from PubChem (CID 55906898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).