2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-1,3-oxazol-4-amine

C15H18Cl2N4O — CID 156701789

IUPAC2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-1,3-oxazol-4-amine
SMILESCC1(N)CCN(c2nc(N)c(-c3cccc(Cl)c3Cl)o2)CC1
InChIInChI=1S/C15H18Cl2N4O/c1-15(19)5-7-21(8-6-15)14-20-13(18)12(22-14)9-3-2-4-10(16)11(9)17/h2-4H,5-8,18-19H2,1H3
InChIKeyFOTHUONGBRLMMI-UHFFFAOYSA-N
MW341.24 g/mol
LogP3.55
Rot. Bonds2

About 2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-1,3-oxazol-4-amine

2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-1,3-oxazol-4-amine (PubChem CID 156701789) has the molecular formula C15H18Cl2N4O and a molecular weight of 341.24 g/mol. Its IUPAC name is 2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-1,3-oxazol-4-amine.

Molecular Properties

Compound Name2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-1,3-oxazol-4-amine
PubChem CID156701789
Molecular FormulaC15H18Cl2N4O
Molecular Weight341.24 g/mol
Exact Mass340.09
IUPAC Name2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-1,3-oxazol-4-amine
SMILESCC1(N)CCN(c2nc(N)c(-c3cccc(Cl)c3Cl)o2)CC1
InChIInChI=1S/C15H18Cl2N4O/c1-15(19)5-7-21(8-6-15)14-20-13(18)12(22-14)9-3-2-4-10(16)11(9)17/h2-4H,5-8,18-19H2,1H3
InChIKeyFOTHUONGBRLMMI-UHFFFAOYSA-N
XLogP3.55
TPSA81.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-amine
CID 156701788
6-[(4-amino-4-methylpiperidin-1-yl)methyl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 167432571
6-(2,3-dichlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 160542934
1-[[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]methyl]-4-methylpiperidin-4-amine
CID 134182766
1-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl]-4-methylpiperidin-4-amine
CID 148722082
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 154640321
3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine
CID 167296773
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
CID 155165316
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4-one
CID 158026583
(3R)-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4,4-dimethylpiperidin-3-ol
CID 161181664
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-N-hydroxy-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide
CID 149381861
6-[(3S)-3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 126480959

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-1,3-oxazol-4-amine?
The IUPAC name of 2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-1,3-oxazol-4-amine (CID 156701789) is 2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-1,3-oxazol-4-amine.
What is the SMILES notation for 2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-1,3-oxazol-4-amine?
The canonical SMILES for 2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-1,3-oxazol-4-amine is CC1(N)CCN(c2nc(N)c(-c3cccc(Cl)c3Cl)o2)CC1.
What is the InChIKey of 2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-1,3-oxazol-4-amine?
The InChIKey is FOTHUONGBRLMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O/c1-15(19)5-7-21(8-6-15)14-20-13(18)12(22-14)9-3-2-4-10(16)11(9)17/h2-4H,5-8,18-19H2,1H3.
What are the key properties of 2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-1,3-oxazol-4-amine?
2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-1,3-oxazol-4-amine has a molecular weight of 341.24 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-1,3-oxazol-4-amine is sourced from PubChem (CID 156701789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).