N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine

C14H23N5O — CID 103399204

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
SMILESCc1noc(C)c1C(C)NCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C14H23N5O/c1-9(13-10(2)17-20-11(13)3)15-7-12-8-19(18-16-12)14(4,5)6/h8-9,15H,7H2,1-6H3
InChIKeyHPKCFEUFPIWZIX-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.49
Rot. Bonds4

About N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine

N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine (PubChem CID 103399204) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
PubChem CID103399204
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
SMILESCc1noc(C)c1C(C)NCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C14H23N5O/c1-9(13-10(2)17-20-11(13)3)15-7-12-8-19(18-16-12)14(4,5)6/h8-9,15H,7H2,1-6H3
InChIKeyHPKCFEUFPIWZIX-UHFFFAOYSA-N
XLogP2.49
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-tert-butyltriazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 103398918
(1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 103399284
N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 103398582
N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 103398596
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443
N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3,4-dimethoxy-2-methylphenyl)ethanamine
CID 126802415
(2S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 164630072
N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
CID 103399314
(1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine
CID 103399276
N-[(3,4-difluorophenyl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 78961733
2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-fluorophenol
CID 103948779
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 112549544

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine (CID 103399204) is N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine is Cc1noc(C)c1C(C)NCc1cn(C(C)(C)C)nn1.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
The InChIKey is HPKCFEUFPIWZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-9(13-10(2)17-20-11(13)3)15-7-12-8-19(18-16-12)14(4,5)6/h8-9,15H,7H2,1-6H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine has a molecular weight of 277.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine is sourced from PubChem (CID 103399204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).