[5-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine

C15H26N4O — CID 63009223

IUPAC[5-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(CN2CCC(CN3CCCC3)CC2)on1
InChIInChI=1S/C15H26N4O/c16-10-14-9-15(20-17-14)12-19-7-3-13(4-8-19)11-18-5-1-2-6-18/h9,13H,1-8,10-12,16H2
InChIKeyAMUQPGRGWOEBKB-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.44
Rot. Bonds5

About [5-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine

[5-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine (PubChem CID 63009223) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [5-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine
PubChem CID63009223
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[5-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(CN2CCC(CN3CCCC3)CC2)on1
InChIInChI=1S/C15H26N4O/c16-10-14-9-15(20-17-14)12-19-7-3-13(4-8-19)11-18-5-1-2-6-18/h9,13H,1-8,10-12,16H2
InChIKeyAMUQPGRGWOEBKB-UHFFFAOYSA-N
XLogP1.44
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(4-propylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 62438397
[5-[(4,4-dimethylazepan-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 65286962
[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 62417815
[5-[(3-phenylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 62412837
[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 139022623
[4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 63008864
[5-(2-pyrrolidin-1-ylethoxymethyl)-1,2-oxazol-3-yl]methanamine
CID 62459478
N-[[5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62437894
5-(azocan-1-ylmethyl)-1,2-oxazole-3-carbohydrazide
CID 63570998
1-[1-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62888362
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-amine
CID 66189164
N-[[5-(azepan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62439087

Frequently Asked Questions

What is the IUPAC name of [5-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine (CID 63009223) is [5-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine is NCc1cc(CN2CCC(CN3CCCC3)CC2)on1.
What is the InChIKey of [5-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine?
The InChIKey is AMUQPGRGWOEBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c16-10-14-9-15(20-17-14)12-19-7-3-13(4-8-19)11-18-5-1-2-6-18/h9,13H,1-8,10-12,16H2.
What are the key properties of [5-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine?
[5-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine has a molecular weight of 278.40 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 63009223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).