N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methyl]propan-1-amine

C15H27N3O — CID 63847662

IUPACN-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1Cc1c(C)noc1C
InChIInChI=1S/C15H27N3O/c1-4-8-16-10-14-7-5-6-9-18(14)11-15-12(2)17-19-13(15)3/h14,16H,4-11H2,1-3H3
InChIKeyCAEOAFHXAPVMNF-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.65
Rot. Bonds6

About N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methyl]propan-1-amine

N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methyl]propan-1-amine (PubChem CID 63847662) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
PubChem CID63847662
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1Cc1c(C)noc1C
InChIInChI=1S/C15H27N3O/c1-4-8-16-10-14-7-5-6-9-18(14)11-15-12(2)17-19-13(15)3/h14,16H,4-11H2,1-3H3
InChIKeyCAEOAFHXAPVMNF-UHFFFAOYSA-N
XLogP2.65
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916117
N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 63848343
N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 63848184
N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581254
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581616
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290
N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 107078749
N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580578
4-[[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 70776727
N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 102881483
4-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 95292974
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103626255

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methyl]propan-1-amine (CID 63847662) is N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCCN1Cc1c(C)noc1C.
What is the InChIKey of N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methyl]propan-1-amine?
The InChIKey is CAEOAFHXAPVMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-8-16-10-14-7-5-6-9-18(14)11-15-12(2)17-19-13(15)3/h14,16H,4-11H2,1-3H3.
What are the key properties of N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methyl]propan-1-amine?
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 63847662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).