N-(2-benzyl-3H-benzimidazol-5-yl)-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide

C23H20N6O2 — CID 46975532

IUPACN-(2-benzyl-3H-benzimidazol-5-yl)-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
SMILESCCn1cc(-c2cc(C(=O)Nc3ccc4nc(Cc5ccccc5)[nH]c4c3)no2)cn1
InChIInChI=1S/C23H20N6O2/c1-2-29-14-16(13-24-29)21-12-20(28-31-21)23(30)25-17-8-9-18-19(11-17)27-22(26-18)10-15-6-4-3-5-7-15/h3-9,11-14H,2,10H2,1H3,(H,25,30)(H,26,27)
InChIKeyRJZIMIZWYUHPIS-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.28
Rot. Bonds6

About N-(2-benzyl-3H-benzimidazol-5-yl)-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide

N-(2-benzyl-3H-benzimidazol-5-yl)-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide (PubChem CID 46975532) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-(2-benzyl-3H-benzimidazol-5-yl)-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzyl-3H-benzimidazol-5-yl)-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
PubChem CID46975532
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC NameN-(2-benzyl-3H-benzimidazol-5-yl)-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
SMILESCCn1cc(-c2cc(C(=O)Nc3ccc4nc(Cc5ccccc5)[nH]c4c3)no2)cn1
InChIInChI=1S/C23H20N6O2/c1-2-29-14-16(13-24-29)21-12-20(28-31-21)23(30)25-17-8-9-18-19(11-17)27-22(26-18)10-15-6-4-3-5-7-15/h3-9,11-14H,2,10H2,1H3,(H,25,30)(H,26,27)
InChIKeyRJZIMIZWYUHPIS-UHFFFAOYSA-N
XLogP4.28
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-3H-benzimidazol-5-yl)-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-benzyl-3H-benzimidazol-5-yl)-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide (CID 46975532) is N-(2-benzyl-3H-benzimidazol-5-yl)-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-benzyl-3H-benzimidazol-5-yl)-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-benzyl-3H-benzimidazol-5-yl)-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide is CCn1cc(-c2cc(C(=O)Nc3ccc4nc(Cc5ccccc5)[nH]c4c3)no2)cn1.
What is the InChIKey of N-(2-benzyl-3H-benzimidazol-5-yl)-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is RJZIMIZWYUHPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-2-29-14-16(13-24-29)21-12-20(28-31-21)23(30)25-17-8-9-18-19(11-17)27-22(26-18)10-15-6-4-3-5-7-15/h3-9,11-14H,2,10H2,1H3,(H,25,30)(H,26,27).
What are the key properties of N-(2-benzyl-3H-benzimidazol-5-yl)-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
N-(2-benzyl-3H-benzimidazol-5-yl)-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-3H-benzimidazol-5-yl)-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46975532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).