N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine

C19H22N4OS — CID 46989298

IUPACN-methyl-N-(1,2-oxazol-3-ylmethyl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine
SMILESCN(Cc1ccon1)C1CCN(c2cccc(-c3cscn3)c2)CC1
InChIInChI=1S/C19H22N4OS/c1-22(12-16-7-10-24-21-16)17-5-8-23(9-6-17)18-4-2-3-15(11-18)19-13-25-14-20-19/h2-4,7,10-11,13-14,17H,5-6,8-9,12H2,1H3
InChIKeyXDGBJHCFMQKYTB-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.90
Rot. Bonds5

About N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine

N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine (PubChem CID 46989298) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(1,2-oxazol-3-ylmethyl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine
PubChem CID46989298
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC NameN-methyl-N-(1,2-oxazol-3-ylmethyl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine
SMILESCN(Cc1ccon1)C1CCN(c2cccc(-c3cscn3)c2)CC1
InChIInChI=1S/C19H22N4OS/c1-22(12-16-7-10-24-21-16)17-5-8-23(9-6-17)18-4-2-3-15(11-18)19-13-25-14-20-19/h2-4,7,10-11,13-14,17H,5-6,8-9,12H2,1H3
InChIKeyXDGBJHCFMQKYTB-UHFFFAOYSA-N
XLogP3.90
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine?
The IUPAC name of N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine (CID 46989298) is N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine?
The canonical SMILES for N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine is CN(Cc1ccon1)C1CCN(c2cccc(-c3cscn3)c2)CC1.
What is the InChIKey of N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine?
The InChIKey is XDGBJHCFMQKYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-22(12-16-7-10-24-21-16)17-5-8-23(9-6-17)18-4-2-3-15(11-18)19-13-25-14-20-19/h2-4,7,10-11,13-14,17H,5-6,8-9,12H2,1H3.
What are the key properties of N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine?
N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine has a molecular weight of 354.48 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 46989298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).