5-(4-tert-butylphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine

C19H20N6O2 — CID 164938865

IUPAC5-(4-tert-butylphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCOc1nccc2[nH]c(Nc3nnc(-c4ccc(C(C)(C)C)cc4)o3)nc12
InChIInChI=1S/C19H20N6O2/c1-19(2,3)12-7-5-11(6-8-12)15-24-25-18(27-15)23-17-21-13-9-10-20-16(26-4)14(13)22-17/h5-10H,1-4H3,(H2,21,22,23,25)
InChIKeyNYWZEVSDUNGWAO-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.06
Rot. Bonds4

About 5-(4-tert-butylphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine

5-(4-tert-butylphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 164938865) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID164938865
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name5-(4-tert-butylphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCOc1nccc2[nH]c(Nc3nnc(-c4ccc(C(C)(C)C)cc4)o3)nc12
InChIInChI=1S/C19H20N6O2/c1-19(2,3)12-7-5-11(6-8-12)15-24-25-18(27-15)23-17-21-13-9-10-20-16(26-4)14(13)22-17/h5-10H,1-4H3,(H2,21,22,23,25)
InChIKeyNYWZEVSDUNGWAO-UHFFFAOYSA-N
XLogP4.06
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-tert-butylphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine (CID 164938865) is 5-(4-tert-butylphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-tert-butylphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-tert-butylphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine is COc1nccc2[nH]c(Nc3nnc(-c4ccc(C(C)(C)C)cc4)o3)nc12.
What is the InChIKey of 5-(4-tert-butylphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is NYWZEVSDUNGWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-19(2,3)12-7-5-11(6-8-12)15-24-25-18(27-15)23-17-21-13-9-10-20-16(26-4)14(13)22-17/h5-10H,1-4H3,(H2,21,22,23,25).
What are the key properties of 5-(4-tert-butylphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine?
5-(4-tert-butylphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 364.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 164938865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).