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

C13H21N5O — CID 66131035

IUPAC(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-propylimidazol-4-yl)methanamine
SMILESCCCn1cncc1C(N)c1noc(C(C)(C)C)n1
InChIInChI=1S/C13H21N5O/c1-5-6-18-8-15-7-9(18)10(14)11-16-12(19-17-11)13(2,3)4/h7-8,10H,5-6,14H2,1-4H3
InChIKeyXHQWCGKABYYANK-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.02
Rot. Bonds4

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

(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-propylimidazol-4-yl)methanamine (PubChem CID 66131035) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-propylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-propylimidazol-4-yl)methanamine
PubChem CID66131035
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-propylimidazol-4-yl)methanamine
SMILESCCCn1cncc1C(N)c1noc(C(C)(C)C)n1
InChIInChI=1S/C13H21N5O/c1-5-6-18-8-15-7-9(18)10(14)11-16-12(19-17-11)13(2,3)4/h7-8,10H,5-6,14H2,1-4H3
InChIKeyXHQWCGKABYYANK-UHFFFAOYSA-N
XLogP2.02
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-propylimidazol-4-yl)methanamine?
The IUPAC name of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-propylimidazol-4-yl)methanamine (CID 66131035) is (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-propylimidazol-4-yl)methanamine.
What is the SMILES notation for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-propylimidazol-4-yl)methanamine?
The canonical SMILES for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-propylimidazol-4-yl)methanamine is CCCn1cncc1C(N)c1noc(C(C)(C)C)n1.
What is the InChIKey of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-propylimidazol-4-yl)methanamine?
The InChIKey is XHQWCGKABYYANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-5-6-18-8-15-7-9(18)10(14)11-16-12(19-17-11)13(2,3)4/h7-8,10H,5-6,14H2,1-4H3.
What are the key properties of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-propylimidazol-4-yl)methanamine?
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-propylimidazol-4-yl)methanamine has a molecular weight of 263.34 g/mol, XLogP of 2.02, 4 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-propylimidazol-4-yl)methanamine is sourced from PubChem (CID 66131035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).