1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclopropylimidazole-4-carboxamide

C18H20N6O2 — CID 53178733

IUPAC1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclopropylimidazole-4-carboxamide
SMILESCC(C)(C)c1noc(-c2ccnc(-n3cnc(C(=O)NC4CC4)c3)c2)n1
InChIInChI=1S/C18H20N6O2/c1-18(2,3)17-22-16(26-23-17)11-6-7-19-14(8-11)24-9-13(20-10-24)15(25)21-12-4-5-12/h6-10,12H,4-5H2,1-3H3,(H,21,25)
InChIKeyBKRHWHFORNNYJZ-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.51
Rot. Bonds4

About 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclopropylimidazole-4-carboxamide

1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclopropylimidazole-4-carboxamide (PubChem CID 53178733) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclopropylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclopropylimidazole-4-carboxamide
PubChem CID53178733
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclopropylimidazole-4-carboxamide
SMILESCC(C)(C)c1noc(-c2ccnc(-n3cnc(C(=O)NC4CC4)c3)c2)n1
InChIInChI=1S/C18H20N6O2/c1-18(2,3)17-22-16(26-23-17)11-6-7-19-14(8-11)24-9-13(20-10-24)15(25)21-12-4-5-12/h6-10,12H,4-5H2,1-3H3,(H,21,25)
InChIKeyBKRHWHFORNNYJZ-UHFFFAOYSA-N
XLogP2.51
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclopropylimidazole-4-carboxamide?
The IUPAC name of 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclopropylimidazole-4-carboxamide (CID 53178733) is 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclopropylimidazole-4-carboxamide.
What is the SMILES notation for 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclopropylimidazole-4-carboxamide?
The canonical SMILES for 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclopropylimidazole-4-carboxamide is CC(C)(C)c1noc(-c2ccnc(-n3cnc(C(=O)NC4CC4)c3)c2)n1.
What is the InChIKey of 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclopropylimidazole-4-carboxamide?
The InChIKey is BKRHWHFORNNYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-18(2,3)17-22-16(26-23-17)11-6-7-19-14(8-11)24-9-13(20-10-24)15(25)21-12-4-5-12/h6-10,12H,4-5H2,1-3H3,(H,21,25).
What are the key properties of 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclopropylimidazole-4-carboxamide?
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclopropylimidazole-4-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclopropylimidazole-4-carboxamide is sourced from PubChem (CID 53178733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).