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

C12H19N5O — CID 79543304

IUPAC1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazol-4-amine
SMILESCCc1c(N)nnn1Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C12H19N5O/c1-5-8-11(13)15-16-17(8)7-10-14-6-9(18-10)12(2,3)4/h6H,5,7,13H2,1-4H3
InChIKeyFISXDUDZALFFSX-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.76
Rot. Bonds3

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

1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazol-4-amine (PubChem CID 79543304) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazol-4-amine.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazol-4-amine
PubChem CID79543304
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazol-4-amine
SMILESCCc1c(N)nnn1Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C12H19N5O/c1-5-8-11(13)15-16-17(8)7-10-14-6-9(18-10)12(2,3)4/h6H,5,7,13H2,1-4H3
InChIKeyFISXDUDZALFFSX-UHFFFAOYSA-N
XLogP1.76
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.76
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]-5-ethyltriazol-4-amine?
The IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazol-4-amine (CID 79543304) is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazol-4-amine.
What is the SMILES notation for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazol-4-amine?
The canonical SMILES for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazol-4-amine is CCc1c(N)nnn1Cc1ncc(C(C)(C)C)o1.
What is the InChIKey of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazol-4-amine?
The InChIKey is FISXDUDZALFFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-5-8-11(13)15-16-17(8)7-10-14-6-9(18-10)12(2,3)4/h6H,5,7,13H2,1-4H3.
What are the key properties of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazol-4-amine?
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazol-4-amine has a molecular weight of 249.32 g/mol, XLogP of 1.76, 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]-5-ethyltriazol-4-amine is sourced from PubChem (CID 79543304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).