N-methyl-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-3-amine

C14H19N3OS — CID 119919890

IUPACN-methyl-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-3-amine
SMILESCNC1CCCN(Cc2ncc(-c3cccs3)o2)C1
InChIInChI=1S/C14H19N3OS/c1-15-11-4-2-6-17(9-11)10-14-16-8-12(18-14)13-5-3-7-19-13/h3,5,7-8,11,15H,2,4,6,9-10H2,1H3
InChIKeyHLTBZDYSUAABCT-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.59
Rot. Bonds4

About N-methyl-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-3-amine

N-methyl-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-3-amine (PubChem CID 119919890) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-methyl-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-3-amine
PubChem CID119919890
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-methyl-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-3-amine
SMILESCNC1CCCN(Cc2ncc(-c3cccs3)o2)C1
InChIInChI=1S/C14H19N3OS/c1-15-11-4-2-6-17(9-11)10-14-16-8-12(18-14)13-5-3-7-19-13/h3,5,7-8,11,15H,2,4,6,9-10H2,1H3
InChIKeyHLTBZDYSUAABCT-UHFFFAOYSA-N
XLogP2.59
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine
CID 119920467
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine;dihydrochloride
CID 119918897
1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine
CID 119919861
methyl (2S)-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2-carboxylate
CID 56791543
2-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
CID 86953341
1-[1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanol
CID 111111054
1-[(2-chlorothiophen-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120837875
N-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 60861984
1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62546532
2-[[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
CID 97240829
N-[1-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-yl]methanesulfonamide
CID 126793230
1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918697

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-3-amine?
The IUPAC name of N-methyl-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-3-amine (CID 119919890) is N-methyl-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-3-amine?
The canonical SMILES for N-methyl-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-3-amine is CNC1CCCN(Cc2ncc(-c3cccs3)o2)C1.
What is the InChIKey of N-methyl-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-3-amine?
The InChIKey is HLTBZDYSUAABCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-15-11-4-2-6-17(9-11)10-14-16-8-12(18-14)13-5-3-7-19-13/h3,5,7-8,11,15H,2,4,6,9-10H2,1H3.
What are the key properties of N-methyl-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-3-amine?
N-methyl-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-3-amine has a molecular weight of 277.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 119919890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).