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

C11H17N5O — CID 62053981

IUPAC[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine
SMILESCC(C)(C)c1cnc(Cn2cc(CN)nn2)o1
InChIInChI=1S/C11H17N5O/c1-11(2,3)9-5-13-10(17-9)7-16-6-8(4-12)14-15-16/h5-6H,4,7,12H2,1-3H3
InChIKeyWKNIKJDDQITWRT-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.07
Rot. Bonds3

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

[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine (PubChem CID 62053981) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is [1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine
PubChem CID62053981
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine
SMILESCC(C)(C)c1cnc(Cn2cc(CN)nn2)o1
InChIInChI=1S/C11H17N5O/c1-11(2,3)9-5-13-10(17-9)7-16-6-8(4-12)14-15-16/h5-6H,4,7,12H2,1-3H3
InChIKeyWKNIKJDDQITWRT-UHFFFAOYSA-N
XLogP1.07
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine (CID 62053981) is [1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine is CC(C)(C)c1cnc(Cn2cc(CN)nn2)o1.
What is the InChIKey of [1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine?
The InChIKey is WKNIKJDDQITWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-11(2,3)9-5-13-10(17-9)7-16-6-8(4-12)14-15-16/h5-6H,4,7,12H2,1-3H3.
What are the key properties of [1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine?
[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine has a molecular weight of 235.29 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 62053981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).