N-methyl-1-[2-(4-propan-2-ylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine

C13H23N3O — CID 103503007

IUPACN-methyl-1-[2-(4-propan-2-ylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine
SMILESCNCc1coc(N2CCC(C(C)C)CC2)n1
InChIInChI=1S/C13H23N3O/c1-10(2)11-4-6-16(7-5-11)13-15-12(8-14-3)9-17-13/h9-11,14H,4-8H2,1-3H3
InChIKeyMLMKTBNRASKPDC-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.27
Rot. Bonds4

About N-methyl-1-[2-(4-propan-2-ylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine

N-methyl-1-[2-(4-propan-2-ylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine (PubChem CID 103503007) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-methyl-1-[2-(4-propan-2-ylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-propan-2-ylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine
PubChem CID103503007
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-methyl-1-[2-(4-propan-2-ylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine
SMILESCNCc1coc(N2CCC(C(C)C)CC2)n1
InChIInChI=1S/C13H23N3O/c1-10(2)11-4-6-16(7-5-11)13-15-12(8-14-3)9-17-13/h9-11,14H,4-8H2,1-3H3
InChIKeyMLMKTBNRASKPDC-UHFFFAOYSA-N
XLogP2.27
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 103503049
N-methyl-1-[2-(4-methylsulfanylazepan-1-yl)-1,3-oxazol-4-yl]methanamine
CID 114238222
N-[[2-(4-ethylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 113377755
1-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 114083746
N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 106967346
N-methyl-1-[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanamine
CID 66449940
N-[[2-(3-methoxypyrrolidin-1-yl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 103539392
N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 102967632
N-[[2-(2-ethylmorpholin-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 113377635
N-methyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine
CID 114596926
N-[[2-(2,4-dimethylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 113377768
1-[4,6-dimethyl-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 103502957

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-propan-2-ylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(4-propan-2-ylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine (CID 103503007) is N-methyl-1-[2-(4-propan-2-ylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(4-propan-2-ylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(4-propan-2-ylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine is CNCc1coc(N2CCC(C(C)C)CC2)n1.
What is the InChIKey of N-methyl-1-[2-(4-propan-2-ylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is MLMKTBNRASKPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)11-4-6-16(7-5-11)13-15-12(8-14-3)9-17-13/h9-11,14H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-[2-(4-propan-2-ylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine?
N-methyl-1-[2-(4-propan-2-ylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 237.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-propan-2-ylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 103503007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).