2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide

C17H18F2N4O2S — CID 55546372

IUPAC2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
SMILESCCCCC(Sc1nc2cc(F)c(F)cc2[nH]1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C17H18F2N4O2S/c1-3-4-5-14(16(24)22-15-6-9(2)25-23-15)26-17-20-12-7-10(18)11(19)8-13(12)21-17/h6-8,14H,3-5H2,1-2H3,(H,20,21)(H,22,23,24)
InChIKeyBFKUTMNOEDPFSM-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.43
Rot. Bonds7

About 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide

2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide (PubChem CID 55546372) has the molecular formula C17H18F2N4O2S and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide.

Molecular Properties

Compound Name2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
PubChem CID55546372
Molecular FormulaC17H18F2N4O2S
Molecular Weight380.42 g/mol
Exact Mass380.11
IUPAC Name2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
SMILESCCCCC(Sc1nc2cc(F)c(F)cc2[nH]1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C17H18F2N4O2S/c1-3-4-5-14(16(24)22-15-6-9(2)25-23-15)26-17-20-12-7-10(18)11(19)8-13(12)21-17/h6-8,14H,3-5H2,1-2H3,(H,20,21)(H,22,23,24)
InChIKeyBFKUTMNOEDPFSM-UHFFFAOYSA-N
XLogP4.43
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 1160471
N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylhexanamide
CID 51317607
N-(5-methyl-1,2-oxazol-3-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)hexanamide
CID 42932563
(2S)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 27353118
(2S)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 40792069
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 17441380
N-(5-methyl-1,2-oxazol-3-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]hexanamide
CID 55515866
2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 17446892
(2S)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 39746091
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide
CID 94031927
2-[[4-[(4-hydroxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 6500454
2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 55494508

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide?
The IUPAC name of 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide (CID 55546372) is 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide.
What is the SMILES notation for 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide?
The canonical SMILES for 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide is CCCCC(Sc1nc2cc(F)c(F)cc2[nH]1)C(=O)Nc1cc(C)on1.
What is the InChIKey of 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide?
The InChIKey is BFKUTMNOEDPFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O2S/c1-3-4-5-14(16(24)22-15-6-9(2)25-23-15)26-17-20-12-7-10(18)11(19)8-13(12)21-17/h6-8,14H,3-5H2,1-2H3,(H,20,21)(H,22,23,24).
What are the key properties of 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide?
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide has a molecular weight of 380.42 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide is sourced from PubChem (CID 55546372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).