3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide

C15H24ClN3O3 — CID 120891385

IUPAC3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
SMILESCOCC1(CNC(=O)CCc2c(C)noc2Cl)CCNCC1
InChIInChI=1S/C15H24ClN3O3/c1-11-12(14(16)22-19-11)3-4-13(20)18-9-15(10-21-2)5-7-17-8-6-15/h17H,3-10H2,1-2H3,(H,18,20)
InChIKeyXMIKKTQJFHUILD-UHFFFAOYSA-N
MW329.83 g/mol
LogP1.70
Rot. Bonds7

About 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide (PubChem CID 120891385) has the molecular formula C15H24ClN3O3 and a molecular weight of 329.83 g/mol. Its IUPAC name is 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
PubChem CID120891385
Molecular FormulaC15H24ClN3O3
Molecular Weight329.83 g/mol
Exact Mass329.15
IUPAC Name3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
SMILESCOCC1(CNC(=O)CCc2c(C)noc2Cl)CCNCC1
InChIInChI=1S/C15H24ClN3O3/c1-11-12(14(16)22-19-11)3-4-13(20)18-9-15(10-21-2)5-7-17-8-6-15/h17H,3-10H2,1-2H3,(H,18,20)
InChIKeyXMIKKTQJFHUILD-UHFFFAOYSA-N
XLogP1.70
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide (CID 120891385) is 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide is COCC1(CNC(=O)CCc2c(C)noc2Cl)CCNCC1.
What is the InChIKey of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is XMIKKTQJFHUILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O3/c1-11-12(14(16)22-19-11)3-4-13(20)18-9-15(10-21-2)5-7-17-8-6-15/h17H,3-10H2,1-2H3,(H,18,20).
What are the key properties of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide?
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 329.83 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 120891385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).