1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-amine

C14H25N3O — CID 79868557

IUPAC1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-amine
SMILESCC1CN(Cc2ncc(C(C)(C)C)o2)CCC1N
InChIInChI=1S/C14H25N3O/c1-10-8-17(6-5-11(10)15)9-13-16-7-12(18-13)14(2,3)4/h7,10-11H,5-6,8-9,15H2,1-4H3
InChIKeyBSLCBPUEWYSRCX-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.14
Rot. Bonds2

About 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-amine

1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-amine (PubChem CID 79868557) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-amine
PubChem CID79868557
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-amine
SMILESCC1CN(Cc2ncc(C(C)(C)C)o2)CCC1N
InChIInChI=1S/C14H25N3O/c1-10-8-17(6-5-11(10)15)9-13-16-7-12(18-13)14(2,3)4/h7,10-11H,5-6,8-9,15H2,1-4H3
InChIKeyBSLCBPUEWYSRCX-UHFFFAOYSA-N
XLogP2.14
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-amine?
The IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-amine (CID 79868557) is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-amine?
The canonical SMILES for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-amine is CC1CN(Cc2ncc(C(C)(C)C)o2)CCC1N.
What is the InChIKey of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-amine?
The InChIKey is BSLCBPUEWYSRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10-8-17(6-5-11(10)15)9-13-16-7-12(18-13)14(2,3)4/h7,10-11H,5-6,8-9,15H2,1-4H3.
What are the key properties of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-amine?
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-amine has a molecular weight of 251.37 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-amine is sourced from PubChem (CID 79868557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).