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

C12H19N5O — CID 66134943

IUPAC(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-ethylimidazol-4-yl)methanamine
SMILESCCn1cncc1C(N)c1noc(C(C)(C)C)n1
InChIInChI=1S/C12H19N5O/c1-5-17-7-14-6-8(17)9(13)10-15-11(18-16-10)12(2,3)4/h6-7,9H,5,13H2,1-4H3
InChIKeyBLRAAJGJCNMYQR-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.63
Rot. Bonds3

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

(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-ethylimidazol-4-yl)methanamine (PubChem CID 66134943) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-ethylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-ethylimidazol-4-yl)methanamine
PubChem CID66134943
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-ethylimidazol-4-yl)methanamine
SMILESCCn1cncc1C(N)c1noc(C(C)(C)C)n1
InChIInChI=1S/C12H19N5O/c1-5-17-7-14-6-8(17)9(13)10-15-11(18-16-10)12(2,3)4/h6-7,9H,5,13H2,1-4H3
InChIKeyBLRAAJGJCNMYQR-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
CID 72122896
1-(5-isopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(1-methyl-1H-imidazol-5-yl)methyl]methanamine
CID 56712179
1-(1-isopropyl-1H-imidazol-5-yl)-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 74247461
N-[(1-ethyl-1H-imidazol-5-yl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 91837460
N-ethyl-N'-[(1-ethyl-1H-imidazol-5-yl)methyl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 122561878
N'-[(1-cyclopropyl-1H-imidazol-5-yl)methyl]-N-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylurea formate
CID 129610193
Succinyl-histamine ethyl ester
CID 129730589
(3-Methylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 66117968
(3-Propylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 66131234
(3-Ethylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 66134944
(3-Cyclopropylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 66142266
(3-Propan-2-ylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 66163638

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-ethylimidazol-4-yl)methanamine?
The IUPAC name of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-ethylimidazol-4-yl)methanamine (CID 66134943) is (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-ethylimidazol-4-yl)methanamine.
What is the SMILES notation for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-ethylimidazol-4-yl)methanamine?
The canonical SMILES for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-ethylimidazol-4-yl)methanamine is CCn1cncc1C(N)c1noc(C(C)(C)C)n1.
What is the InChIKey of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-ethylimidazol-4-yl)methanamine?
The InChIKey is BLRAAJGJCNMYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-5-17-7-14-6-8(17)9(13)10-15-11(18-16-10)12(2,3)4/h6-7,9H,5,13H2,1-4H3.
What are the key properties of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-ethylimidazol-4-yl)methanamine?
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-ethylimidazol-4-yl)methanamine has a molecular weight of 249.32 g/mol, XLogP of 1.63, 3 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-ethylimidazol-4-yl)methanamine is sourced from PubChem (CID 66134943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).