2-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfanylbenzamide

C12H12FN3O2S — CID 106423395

IUPAC2-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfanylbenzamide
SMILESCc1noc(CCNC(=O)c2cc(S)ccc2F)n1
InChIInChI=1S/C12H12FN3O2S/c1-7-15-11(18-16-7)4-5-14-12(17)9-6-8(19)2-3-10(9)13/h2-3,6,19H,4-5H2,1H3,(H,14,17)
InChIKeyQANDNOSDAFXPRH-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.78
Rot. Bonds4

About 2-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfanylbenzamide

2-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfanylbenzamide (PubChem CID 106423395) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfanylbenzamide
PubChem CID106423395
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Name2-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfanylbenzamide
SMILESCc1noc(CCNC(=O)c2cc(S)ccc2F)n1
InChIInChI=1S/C12H12FN3O2S/c1-7-15-11(18-16-7)4-5-14-12(17)9-6-8(19)2-3-10(9)13/h2-3,6,19H,4-5H2,1H3,(H,14,17)
InChIKeyQANDNOSDAFXPRH-UHFFFAOYSA-N
XLogP1.78
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-sulfanylbenzamide
CID 106423390
2-amino-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413315
4-bromo-2,6-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 71972554
2-amino-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106422930
2,4-dibromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103882691
2,4-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413367
2,6-dichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 113230361
2-fluoro-N-[2-(3-methylphenyl)ethyl]-5-sulfanylbenzamide
CID 107028207
3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103892309
3-fluoro-2-hydrazinyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide
CID 106423161
2-(ethylamino)-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106422949
3,5-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413318

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfanylbenzamide?
The IUPAC name of 2-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfanylbenzamide (CID 106423395) is 2-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfanylbenzamide.
What is the SMILES notation for 2-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfanylbenzamide?
The canonical SMILES for 2-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfanylbenzamide is Cc1noc(CCNC(=O)c2cc(S)ccc2F)n1.
What is the InChIKey of 2-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfanylbenzamide?
The InChIKey is QANDNOSDAFXPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c1-7-15-11(18-16-7)4-5-14-12(17)9-6-8(19)2-3-10(9)13/h2-3,6,19H,4-5H2,1H3,(H,14,17).
What are the key properties of 2-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfanylbenzamide?
2-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfanylbenzamide has a molecular weight of 281.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfanylbenzamide is sourced from PubChem (CID 106423395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).