[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperidin-3-yl]methanamine

C13H23N3O — CID 114961231

IUPAC[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperidin-3-yl]methanamine
SMILESCc1nc(CN2CCC(C)C(CN)C2)oc1C
InChIInChI=1S/C13H23N3O/c1-9-4-5-16(7-12(9)6-14)8-13-15-10(2)11(3)17-13/h9,12H,4-8,14H2,1-3H3
InChIKeyUSFWDMTZQAXGIM-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.71
Rot. Bonds3

About [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperidin-3-yl]methanamine

[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperidin-3-yl]methanamine (PubChem CID 114961231) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperidin-3-yl]methanamine
PubChem CID114961231
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperidin-3-yl]methanamine
SMILESCc1nc(CN2CCC(C)C(CN)C2)oc1C
InChIInChI=1S/C13H23N3O/c1-9-4-5-16(7-12(9)6-14)8-13-15-10(2)11(3)17-13/h9,12H,4-8,14H2,1-3H3
InChIKeyUSFWDMTZQAXGIM-UHFFFAOYSA-N
XLogP1.71
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
CID 114961447
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
CID 81493821
(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol
CID 107226246
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 114180494
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4,5-dimethyl-1,3-oxazole
CID 81490315
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910249
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918697
4,5-dimethyl-2-[(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole
CID 71985448
[(3R,4R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120758486
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpiperidin-4-amine;dihydrochloride
CID 119923701
[4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]methanamine
CID 114961443
5-[(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129491666

Frequently Asked Questions

What is the IUPAC name of [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperidin-3-yl]methanamine (CID 114961231) is [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperidin-3-yl]methanamine is Cc1nc(CN2CCC(C)C(CN)C2)oc1C.
What is the InChIKey of [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperidin-3-yl]methanamine?
The InChIKey is USFWDMTZQAXGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9-4-5-16(7-12(9)6-14)8-13-15-10(2)11(3)17-13/h9,12H,4-8,14H2,1-3H3.
What are the key properties of [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperidin-3-yl]methanamine?
[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperidin-3-yl]methanamine has a molecular weight of 237.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114961231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).