3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one

C23H30N4O2 — CID 91947285

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCCCn1c(C2CCCN(C(=O)CCc3c(C)noc3C)C2)nc2ccccc21
InChIInChI=1S/C23H30N4O2/c1-4-13-27-21-10-6-5-9-20(21)24-23(27)18-8-7-14-26(15-18)22(28)12-11-19-16(2)25-29-17(19)3/h5-6,9-10,18H,4,7-8,11-15H2,1-3H3
InChIKeyKWHHHEJLOJAAPB-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.39
Rot. Bonds6

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 91947285) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID91947285
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCCCn1c(C2CCCN(C(=O)CCc3c(C)noc3C)C2)nc2ccccc21
InChIInChI=1S/C23H30N4O2/c1-4-13-27-21-10-6-5-9-20(21)24-23(27)18-8-7-14-26(15-18)22(28)12-11-19-16(2)25-29-17(19)3/h5-6,9-10,18H,4,7-8,11-15H2,1-3H3
InChIKeyKWHHHEJLOJAAPB-UHFFFAOYSA-N
XLogP4.39
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

(3-methyl-1,2-oxazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947250
1-(azepan-1-yl)-2-[2-oxo-2-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]ethoxy]ethanone
CID 91947317
oxolan-2-yl-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947350
[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 91947211
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95845538
(3-methyl-1-benzofuran-2-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947244
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 78791717
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 124982287
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one
CID 139027517
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one
CID 125013242
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 127246669
(1-ethylpyrazol-3-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947222

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one (CID 91947285) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one is CCCn1c(C2CCCN(C(=O)CCc3c(C)noc3C)C2)nc2ccccc21.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is KWHHHEJLOJAAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-4-13-27-21-10-6-5-9-20(21)24-23(27)18-8-7-14-26(15-18)22(28)12-11-19-16(2)25-29-17(19)3/h5-6,9-10,18H,4,7-8,11-15H2,1-3H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 394.52 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 91947285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).