5-(4-fluorophenyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2-oxazole-3-carboxamide

C17H15FN4O2 — CID 138996238

IUPAC5-(4-fluorophenyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCc2nc[nH]c2C1)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C17H15FN4O2/c18-11-3-1-10(2-4-11)16-8-15(22-24-16)17(23)21-12-5-6-13-14(7-12)20-9-19-13/h1-4,8-9,12H,5-7H2,(H,19,20)(H,21,23)
InChIKeyMEGXZGDZYGNCBO-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.49
Rot. Bonds3

About 5-(4-fluorophenyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2-oxazole-3-carboxamide

5-(4-fluorophenyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2-oxazole-3-carboxamide (PubChem CID 138996238) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2-oxazole-3-carboxamide
PubChem CID138996238
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name5-(4-fluorophenyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCc2nc[nH]c2C1)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C17H15FN4O2/c18-11-3-1-10(2-4-11)16-8-15(22-24-16)17(23)21-12-5-6-13-14(7-12)20-9-19-13/h1-4,8-9,12H,5-7H2,(H,19,20)(H,21,23)
InChIKeyMEGXZGDZYGNCBO-UHFFFAOYSA-N
XLogP2.49
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2-oxazole-3-carboxamide (CID 138996238) is 5-(4-fluorophenyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2-oxazole-3-carboxamide is O=C(NC1CCc2nc[nH]c2C1)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is MEGXZGDZYGNCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c18-11-3-1-10(2-4-11)16-8-15(22-24-16)17(23)21-12-5-6-13-14(7-12)20-9-19-13/h1-4,8-9,12H,5-7H2,(H,19,20)(H,21,23).
What are the key properties of 5-(4-fluorophenyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2-oxazole-3-carboxamide?
5-(4-fluorophenyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 138996238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).