N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide

C21H24N6O2 — CID 46978836

IUPACN-(2-tert-butyl-3H-benzimidazol-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(-c2cc(C(=O)Nc3ccc4nc(C(C)(C)C)[nH]c4c3)on2)c1C
InChIInChI=1S/C21H24N6O2/c1-6-27-12(2)14(11-22-27)16-10-18(29-26-16)19(28)23-13-7-8-15-17(9-13)25-20(24-15)21(3,4)5/h7-11H,6H2,1-5H3,(H,23,28)(H,24,25)
InChIKeyIYPFLAPSUXRNII-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.29
Rot. Bonds4

About N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide

N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide (PubChem CID 46978836) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-3H-benzimidazol-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide
PubChem CID46978836
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-(2-tert-butyl-3H-benzimidazol-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(-c2cc(C(=O)Nc3ccc4nc(C(C)(C)C)[nH]c4c3)on2)c1C
InChIInChI=1S/C21H24N6O2/c1-6-27-12(2)14(11-22-27)16-10-18(29-26-16)19(28)23-13-7-8-15-17(9-13)25-20(24-15)21(3,4)5/h7-11H,6H2,1-5H3,(H,23,28)(H,24,25)
InChIKeyIYPFLAPSUXRNII-UHFFFAOYSA-N
XLogP4.29
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide (CID 46978836) is N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide is CCn1ncc(-c2cc(C(=O)Nc3ccc4nc(C(C)(C)C)[nH]c4c3)on2)c1C.
What is the InChIKey of N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is IYPFLAPSUXRNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-6-27-12(2)14(11-22-27)16-10-18(29-26-16)19(28)23-13-7-8-15-17(9-13)25-20(24-15)21(3,4)5/h7-11H,6H2,1-5H3,(H,23,28)(H,24,25).
What are the key properties of N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide?
N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46978836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).