1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine

C12H19N5O — CID 66194047

IUPAC1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(Cc2ncc(C(C)(C)C)o2)nn1
InChIInChI=1S/C12H19N5O/c1-12(2,3)10-6-14-11(18-10)8-17-7-9(5-13-4)15-16-17/h6-7,13H,5,8H2,1-4H3
InChIKeyZFWFWLVZSCZPPB-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.33
Rot. Bonds4

About 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine

1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine (PubChem CID 66194047) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine
PubChem CID66194047
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(Cc2ncc(C(C)(C)C)o2)nn1
InChIInChI=1S/C12H19N5O/c1-12(2,3)10-6-14-11(18-10)8-17-7-9(5-13-4)15-16-17/h6-7,13H,5,8H2,1-4H3
InChIKeyZFWFWLVZSCZPPB-UHFFFAOYSA-N
XLogP1.33
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66193154
N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 66205624
N-methyl-1-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]methanamine
CID 66214042
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)triazol-4-yl]methyl]propan-2-amine
CID 112645383
2,3-dimethyl-1-[4-(methylaminomethyl)triazol-1-yl]butan-2-ol
CID 114496898
1-[1-[2-(4-tert-butylpiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine
CID 62411775
N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 62438466
2-[[4-(bromomethyl)triazol-1-yl]methyl]-5-tert-butyl-1,3,4-oxadiazole
CID 62400109
1-[4-(methylaminomethyl)triazol-1-yl]propan-2-ol
CID 66214034
1-[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]-N-methylmethanamine
CID 66214422
N-methyl-1-[1-(4,4,4-trifluorobutyl)triazol-4-yl]methanamine
CID 115519644
N-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 83182735

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine (CID 66194047) is 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine is CNCc1cn(Cc2ncc(C(C)(C)C)o2)nn1.
What is the InChIKey of 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine?
The InChIKey is ZFWFWLVZSCZPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-12(2,3)10-6-14-11(18-10)8-17-7-9(5-13-4)15-16-17/h6-7,13H,5,8H2,1-4H3.
What are the key properties of 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine?
1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine has a molecular weight of 249.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 66194047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).