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

C26H31N3O2 — CID 16585545

IUPAC3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1ccc(-c2cnc(CCC(=O)N3CCN(c4cccc(C)c4C)CC3)o2)cc1C
InChIInChI=1S/C26H31N3O2/c1-18-8-9-22(16-20(18)3)24-17-27-25(31-24)10-11-26(30)29-14-12-28(13-15-29)23-7-5-6-19(2)21(23)4/h5-9,16-17H,10-15H2,1-4H3
InChIKeyUKHJHNZPVPGHKJ-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.86
Rot. Bonds5

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

3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one (PubChem CID 16585545) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
PubChem CID16585545
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1ccc(-c2cnc(CCC(=O)N3CCN(c4cccc(C)c4C)CC3)o2)cc1C
InChIInChI=1S/C26H31N3O2/c1-18-8-9-22(16-20(18)3)24-17-27-25(31-24)10-11-26(30)29-14-12-28(13-15-29)23-7-5-6-19(2)21(23)4/h5-9,16-17H,10-15H2,1-4H3
InChIKeyUKHJHNZPVPGHKJ-UHFFFAOYSA-N
XLogP4.86
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide
CID 30901863
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 41248921
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 31104889
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
CID 16596687
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 110388329
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 16594239
3-(3-chlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 127122166
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110688452
N-(5-chloro-2-morpholin-4-ylphenyl)-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide
CID 16594353
3-(3,5-dimethoxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 40708471
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 2511652
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 41331628

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one (CID 16585545) is 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one is Cc1ccc(-c2cnc(CCC(=O)N3CCN(c4cccc(C)c4C)CC3)o2)cc1C.
What is the InChIKey of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is UKHJHNZPVPGHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-18-8-9-22(16-20(18)3)24-17-27-25(31-24)10-11-26(30)29-14-12-28(13-15-29)23-7-5-6-19(2)21(23)4/h5-9,16-17H,10-15H2,1-4H3.
What are the key properties of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one?
3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 417.55 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 16585545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).