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

C17H31N3O — CID 79704176

IUPACN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ncc(C(C)(C)C)o1)CC1CCNCC1
InChIInChI=1S/C17H31N3O/c1-13(2)20(11-14-6-8-18-9-7-14)12-16-19-10-15(21-16)17(3,4)5/h10,13-14,18H,6-9,11-12H2,1-5H3
InChIKeyAQCTZJYWDFGLHZ-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.18
Rot. Bonds5

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

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine (PubChem CID 79704176) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
PubChem CID79704176
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ncc(C(C)(C)C)o1)CC1CCNCC1
InChIInChI=1S/C17H31N3O/c1-13(2)20(11-14-6-8-18-9-7-14)12-16-19-10-15(21-16)17(3,4)5/h10,13-14,18H,6-9,11-12H2,1-5H3
InChIKeyAQCTZJYWDFGLHZ-UHFFFAOYSA-N
XLogP3.18
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{[5-(propan-2-yl)-1,3-oxazol-2-yl]methyl}-N-(pyrrolidin-3-yl)acetamide
CID 71873201
[5-(Propan-2-yl)-1,3-oxazol-2-yl]methanamine
CID 54594018
1-[1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-cyclohexylurea
CID 47070684
(1-((5-(Tert-butyl)oxazol-2-yl)methyl)piperidin-4-yl)methanol
CID 52274438
4-[[1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]morpholine
CID 53529388
1-[1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-ethylimidazolidin-2-one
CID 53596257
N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]oxane-4-carboxamide
CID 53621412
N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-N-ethylmethanesulfonamide
CID 53625366
5-Tert-butyl-2-[(2-ethylpiperidin-1-yl)methyl]-1,3-oxazole
CID 56684365
N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-cyclopentylacetamide
CID 56784562
1-[4-[[3-[(5-Ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone
CID 71872557
N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-N-ethylethanamine
CID 71895082

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine (CID 79704176) is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine is CC(C)N(Cc1ncc(C(C)(C)C)o1)CC1CCNCC1.
What is the InChIKey of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The InChIKey is AQCTZJYWDFGLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-13(2)20(11-14-6-8-18-9-7-14)12-16-19-10-15(21-16)17(3,4)5/h10,13-14,18H,6-9,11-12H2,1-5H3.
What are the key properties of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine has a molecular weight of 293.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 79704176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).