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

C16H29N3O — CID 106638894

IUPACN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
SMILESCCN(Cc1ncc(C(C)(C)C)o1)CC1CCCNC1
InChIInChI=1S/C16H29N3O/c1-5-19(11-13-7-6-8-17-9-13)12-15-18-10-14(20-15)16(2,3)4/h10,13,17H,5-9,11-12H2,1-4H3
InChIKeyALYVALXMECHKGR-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.79
Rot. Bonds5

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

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine (PubChem CID 106638894) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
PubChem CID106638894
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
SMILESCCN(Cc1ncc(C(C)(C)C)o1)CC1CCCNC1
InChIInChI=1S/C16H29N3O/c1-5-19(11-13-7-6-8-17-9-13)12-15-18-10-14(20-15)16(2,3)4/h10,13,17H,5-9,11-12H2,1-4H3
InChIKeyALYVALXMECHKGR-UHFFFAOYSA-N
XLogP2.79
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624684
N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624468
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79704176
N-(piperidin-3-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 106624469
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106639291
N-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624365
2-cyclopentyl-N-ethyl-N-(piperidin-3-ylmethyl)ethanamine
CID 114191629
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624601
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-propylpiperidin-4-amine
CID 60807855
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624626
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624449
N-(piperidin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 104870097

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
The IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine (CID 106638894) is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
The canonical SMILES for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine is CCN(Cc1ncc(C(C)(C)C)o1)CC1CCCNC1.
What is the InChIKey of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
The InChIKey is ALYVALXMECHKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-19(11-13-7-6-8-17-9-13)12-15-18-10-14(20-15)16(2,3)4/h10,13,17H,5-9,11-12H2,1-4H3.
What are the key properties of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine has a molecular weight of 279.43 g/mol, XLogP of 2.79, 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-3-ylmethyl)ethanamine is sourced from PubChem (CID 106638894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).