3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[2-(1,3-dimethylpiperidin-4-yl)ethyl]phenyl]propanamide

C23H33N3O2 — CID 46959010

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[2-(1,3-dimethylpiperidin-4-yl)ethyl]phenyl]propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1ccc(CCC2CCN(C)CC2C)cc1
InChIInChI=1S/C23H33N3O2/c1-16-15-26(4)14-13-20(16)8-5-19-6-9-21(10-7-19)24-23(27)12-11-22-17(2)25-28-18(22)3/h6-7,9-10,16,20H,5,8,11-15H2,1-4H3,(H,24,27)
InChIKeyGXMKKOPDYDOBIS-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.38
Rot. Bonds7

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[2-(1,3-dimethylpiperidin-4-yl)ethyl]phenyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[2-(1,3-dimethylpiperidin-4-yl)ethyl]phenyl]propanamide (PubChem CID 46959010) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[2-(1,3-dimethylpiperidin-4-yl)ethyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[2-(1,3-dimethylpiperidin-4-yl)ethyl]phenyl]propanamide
PubChem CID46959010
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[2-(1,3-dimethylpiperidin-4-yl)ethyl]phenyl]propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1ccc(CCC2CCN(C)CC2C)cc1
InChIInChI=1S/C23H33N3O2/c1-16-15-26(4)14-13-20(16)8-5-19-6-9-21(10-7-19)24-23(27)12-11-22-17(2)25-28-18(22)3/h6-7,9-10,16,20H,5,8,11-15H2,1-4H3,(H,24,27)
InChIKeyGXMKKOPDYDOBIS-UHFFFAOYSA-N
XLogP4.38
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[2-(1,3-dimethylpiperidin-4-yl)ethyl]phenyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[2-(1,3-dimethylpiperidin-4-yl)ethyl]phenyl]propanamide (CID 46959010) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[2-(1,3-dimethylpiperidin-4-yl)ethyl]phenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[2-(1,3-dimethylpiperidin-4-yl)ethyl]phenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[2-(1,3-dimethylpiperidin-4-yl)ethyl]phenyl]propanamide is Cc1noc(C)c1CCC(=O)Nc1ccc(CCC2CCN(C)CC2C)cc1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[2-(1,3-dimethylpiperidin-4-yl)ethyl]phenyl]propanamide?
The InChIKey is GXMKKOPDYDOBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-16-15-26(4)14-13-20(16)8-5-19-6-9-21(10-7-19)24-23(27)12-11-22-17(2)25-28-18(22)3/h6-7,9-10,16,20H,5,8,11-15H2,1-4H3,(H,24,27).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[2-(1,3-dimethylpiperidin-4-yl)ethyl]phenyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[2-(1,3-dimethylpiperidin-4-yl)ethyl]phenyl]propanamide has a molecular weight of 383.54 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[2-(1,3-dimethylpiperidin-4-yl)ethyl]phenyl]propanamide is sourced from PubChem (CID 46959010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).