N-(benzimidazol-1-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C18H12ClFN4O2 — CID 34335016

IUPACN-(benzimidazol-1-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)Nn1cnc2ccccc21
InChIInChI=1S/C18H12ClFN4O2/c1-10-15(17(23-26-10)16-11(19)5-4-6-12(16)20)18(25)22-24-9-21-13-7-2-3-8-14(13)24/h2-9H,1H3,(H,22,25)
InChIKeyASXBAKZBWPPISR-UHFFFAOYSA-N
MW370.77 g/mol
LogP4.18
Rot. Bonds3

About N-(benzimidazol-1-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-(benzimidazol-1-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 34335016) has the molecular formula C18H12ClFN4O2 and a molecular weight of 370.77 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID34335016
Molecular FormulaC18H12ClFN4O2
Molecular Weight370.77 g/mol
Exact Mass370.06
IUPAC NameN-(benzimidazol-1-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)Nn1cnc2ccccc21
InChIInChI=1S/C18H12ClFN4O2/c1-10-15(17(23-26-10)16-11(19)5-4-6-12(16)20)18(25)22-24-9-21-13-7-2-3-8-14(13)24/h2-9H,1H3,(H,22,25)
InChIKeyASXBAKZBWPPISR-UHFFFAOYSA-N
XLogP4.18
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.77
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(2-chloro-6-fluorophenyl)-N-methoxy-5-methyl-1,2-oxazole-4-carboxamide
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3-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(benzimidazol-1-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 34335016) is N-(benzimidazol-1-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(benzimidazol-1-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nn1cnc2ccccc21.
What is the InChIKey of N-(benzimidazol-1-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is ASXBAKZBWPPISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4O2/c1-10-15(17(23-26-10)16-11(19)5-4-6-12(16)20)18(25)22-24-9-21-13-7-2-3-8-14(13)24/h2-9H,1H3,(H,22,25).
What are the key properties of N-(benzimidazol-1-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(benzimidazol-1-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 370.77 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 34335016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).