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

C13H23N3O — CID 115085482

IUPACN-methyl-3-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
SMILESCNCCCc1cnc(CC2CCNCC2)o1
InChIInChI=1S/C13H23N3O/c1-14-6-2-3-12-10-16-13(17-12)9-11-4-7-15-8-5-11/h10-11,14-15H,2-9H2,1H3
InChIKeyQJAFCNZVYHTEQR-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.37
Rot. Bonds6

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

N-methyl-3-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine (PubChem CID 115085482) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-methyl-3-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
PubChem CID115085482
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-methyl-3-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
SMILESCNCCCc1cnc(CC2CCNCC2)o1
InChIInChI=1S/C13H23N3O/c1-14-6-2-3-12-10-16-13(17-12)9-11-4-7-15-8-5-11/h10-11,14-15H,2-9H2,1H3
InChIKeyQJAFCNZVYHTEQR-UHFFFAOYSA-N
XLogP1.37
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115085300
N-methyl-3-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115085315
2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115085458
3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]-N-methylpropan-1-amine
CID 115086252
N-methyl-3-[2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115087589
2-[[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]methyl]phenol
CID 115086866
2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115085410
N-[3-[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
CID 65184883
3-[5-(methoxymethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 65186999
N-methyl-3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propan-1-amine
CID 115086973
[2-(cyclopropylmethyl)-1,3-oxazol-5-yl]methanol
CID 165442391
N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
CID 114459250

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine (CID 115085482) is N-methyl-3-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine is CNCCCc1cnc(CC2CCNCC2)o1.
What is the InChIKey of N-methyl-3-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine?
The InChIKey is QJAFCNZVYHTEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-14-6-2-3-12-10-16-13(17-12)9-11-4-7-15-8-5-11/h10-11,14-15H,2-9H2,1H3.
What are the key properties of N-methyl-3-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine?
N-methyl-3-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine is sourced from PubChem (CID 115085482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).