(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methylimidazol-4-yl)methanamine

C11H17N5O — CID 66117759

IUPAC(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methylimidazol-4-yl)methanamine
SMILESCn1cncc1C(N)c1noc(C(C)(C)C)n1
InChIInChI=1S/C11H17N5O/c1-11(2,3)10-14-9(15-17-10)8(12)7-5-13-6-16(7)4/h5-6,8H,12H2,1-4H3
InChIKeyVWYWDRXFHFFHNV-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.15
Rot. Bonds2

About (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methylimidazol-4-yl)methanamine

(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methylimidazol-4-yl)methanamine (PubChem CID 66117759) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methylimidazol-4-yl)methanamine
PubChem CID66117759
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methylimidazol-4-yl)methanamine
SMILESCn1cncc1C(N)c1noc(C(C)(C)C)n1
InChIInChI=1S/C11H17N5O/c1-11(2,3)10-14-9(15-17-10)8(12)7-5-13-6-16(7)4/h5-6,8H,12H2,1-4H3
InChIKeyVWYWDRXFHFFHNV-UHFFFAOYSA-N
XLogP1.15
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-propylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 66131234
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-tert-butylphenyl)methanamine
CID 43559856
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-fluorophenyl)methanamine
CID 43559883
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methyl-3-pyridinyl)methanamine
CID 104822915
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methoxy-3-pyridinyl)methanamine
CID 114937757
(1S)-1-(3-methylimidazol-4-yl)ethanamine
CID 82898137
2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethanamine
CID 66116728
2-methyl-1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 103511946
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(2-chloro-6-fluorophenyl)methanamine
CID 43559922
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methoxyphenyl)methanamine
CID 43559879
(3-methylimidazol-4-yl)-pyrazin-2-ylmethanamine
CID 82895949
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-propoxyphenyl)methanamine
CID 62496967

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methylimidazol-4-yl)methanamine?
The IUPAC name of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methylimidazol-4-yl)methanamine (CID 66117759) is (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methylimidazol-4-yl)methanamine.
What is the SMILES notation for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methylimidazol-4-yl)methanamine?
The canonical SMILES for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methylimidazol-4-yl)methanamine is Cn1cncc1C(N)c1noc(C(C)(C)C)n1.
What is the InChIKey of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methylimidazol-4-yl)methanamine?
The InChIKey is VWYWDRXFHFFHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-11(2,3)10-14-9(15-17-10)8(12)7-5-13-6-16(7)4/h5-6,8H,12H2,1-4H3.
What are the key properties of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methylimidazol-4-yl)methanamine?
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methylimidazol-4-yl)methanamine has a molecular weight of 235.29 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 66117759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).