3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one

C26H36N4O3 — CID 24627726

IUPAC3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(C)Cc1ccc(-c2cnc(CCC(=O)N3CCN(C(=O)N4CCCCC4)CC3)o2)cc1
InChIInChI=1S/C26H36N4O3/c1-20(2)18-21-6-8-22(9-7-21)23-19-27-24(33-23)10-11-25(31)28-14-16-30(17-15-28)26(32)29-12-4-3-5-13-29/h6-9,19-20H,3-5,10-18H2,1-2H3
InChIKeyXNFAKEUXBQQJOI-UHFFFAOYSA-N
MW452.60 g/mol
LogP4.22
Rot. Bonds6

About 3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one

3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 24627726) has the molecular formula C26H36N4O3 and a molecular weight of 452.60 g/mol. Its IUPAC name is 3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID24627726
Molecular FormulaC26H36N4O3
Molecular Weight452.60 g/mol
Exact Mass452.28
IUPAC Name3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(C)Cc1ccc(-c2cnc(CCC(=O)N3CCN(C(=O)N4CCCCC4)CC3)o2)cc1
InChIInChI=1S/C26H36N4O3/c1-20(2)18-21-6-8-22(9-7-21)23-19-27-24(33-23)10-11-25(31)28-14-16-30(17-15-28)26(32)29-12-4-3-5-13-29/h6-9,19-20H,3-5,10-18H2,1-2H3
InChIKeyXNFAKEUXBQQJOI-UHFFFAOYSA-N
XLogP4.22
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propan-1-one
CID 34470903
3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 24608670
3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 24642080
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 94556875
1-(1,4-diazepan-1-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119414024
methyl 1-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylate
CID 108809123
2-(2-chloroethyl)-5-[4-(2-methylpropyl)phenyl]-1,3-oxazole
CID 43144307
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 51304858
1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylic acid
CID 119136265
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[4-(4-methylphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 86867799
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 46434985
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
CID 24643854

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one (CID 24627726) is 3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one is CC(C)Cc1ccc(-c2cnc(CCC(=O)N3CCN(C(=O)N4CCCCC4)CC3)o2)cc1.
What is the InChIKey of 3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is XNFAKEUXBQQJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3/c1-20(2)18-21-6-8-22(9-7-21)23-19-27-24(33-23)10-11-25(31)28-14-16-30(17-15-28)26(32)29-12-4-3-5-13-29/h6-9,19-20H,3-5,10-18H2,1-2H3.
What are the key properties of 3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one?
3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 452.60 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 24627726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).