2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-hexan-3-yl-N-methylacetamide

C17H22FN3O2S — CID 144523408

IUPAC2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-hexan-3-yl-N-methylacetamide
SMILESCCCC(CC)N(C)C(=O)CSc1nnc(-c2ccccc2F)o1
InChIInChI=1S/C17H22FN3O2S/c1-4-8-12(5-2)21(3)15(22)11-24-17-20-19-16(23-17)13-9-6-7-10-14(13)18/h6-7,9-10,12H,4-5,8,11H2,1-3H3
InChIKeyBVGVSQRLGLCTPU-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.00
Rot. Bonds8

About 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-hexan-3-yl-N-methylacetamide

2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-hexan-3-yl-N-methylacetamide (PubChem CID 144523408) has the molecular formula C17H22FN3O2S and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-hexan-3-yl-N-methylacetamide.

Molecular Properties

Compound Name2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-hexan-3-yl-N-methylacetamide
PubChem CID144523408
Molecular FormulaC17H22FN3O2S
Molecular Weight351.45 g/mol
Exact Mass351.14
IUPAC Name2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-hexan-3-yl-N-methylacetamide
SMILESCCCC(CC)N(C)C(=O)CSc1nnc(-c2ccccc2F)o1
InChIInChI=1S/C17H22FN3O2S/c1-4-8-12(5-2)21(3)15(22)11-24-17-20-19-16(23-17)13-9-6-7-10-14(13)18/h6-7,9-10,12H,4-5,8,11H2,1-3H3
InChIKeyBVGVSQRLGLCTPU-UHFFFAOYSA-N
XLogP4.00
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 7444334
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 24571115
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7444441
N-(4-fluorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5243510
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78839592
2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-naphthalen-2-ylethanone
CID 7443903
N-(4-tert-butylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4221337
N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 7683159
cyclohexyl 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 859802
N-(3-fluoro-4-methylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3979982
(2R)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7444226
N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 41113087

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-hexan-3-yl-N-methylacetamide?
The IUPAC name of 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-hexan-3-yl-N-methylacetamide (CID 144523408) is 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-hexan-3-yl-N-methylacetamide.
What is the SMILES notation for 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-hexan-3-yl-N-methylacetamide?
The canonical SMILES for 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-hexan-3-yl-N-methylacetamide is CCCC(CC)N(C)C(=O)CSc1nnc(-c2ccccc2F)o1.
What is the InChIKey of 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-hexan-3-yl-N-methylacetamide?
The InChIKey is BVGVSQRLGLCTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2S/c1-4-8-12(5-2)21(3)15(22)11-24-17-20-19-16(23-17)13-9-6-7-10-14(13)18/h6-7,9-10,12H,4-5,8,11H2,1-3H3.
What are the key properties of 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-hexan-3-yl-N-methylacetamide?
2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-hexan-3-yl-N-methylacetamide has a molecular weight of 351.45 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-hexan-3-yl-N-methylacetamide is sourced from PubChem (CID 144523408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).