3-(2-fluorophenyl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C16H10FN5O2S — CID 44824325

IUPAC3-(2-fluorophenyl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nncs2)c2c(-c3ccccc3F)noc2n1
InChIInChI=1S/C16H10FN5O2S/c1-8-6-10(14(23)20-16-21-18-7-25-16)12-13(22-24-15(12)19-8)9-4-2-3-5-11(9)17/h2-7H,1H3,(H,20,21,23)
InChIKeyDMHAFFJZAUKTRA-UHFFFAOYSA-N
MW355.35 g/mol
LogP3.44
Rot. Bonds3

About 3-(2-fluorophenyl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-(2-fluorophenyl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44824325) has the molecular formula C16H10FN5O2S and a molecular weight of 355.35 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44824325
Molecular FormulaC16H10FN5O2S
Molecular Weight355.35 g/mol
Exact Mass355.05
IUPAC Name3-(2-fluorophenyl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nncs2)c2c(-c3ccccc3F)noc2n1
InChIInChI=1S/C16H10FN5O2S/c1-8-6-10(14(23)20-16-21-18-7-25-16)12-13(22-24-15(12)19-8)9-4-2-3-5-11(9)17/h2-7H,1H3,(H,20,21,23)
InChIKeyDMHAFFJZAUKTRA-UHFFFAOYSA-N
XLogP3.44
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-fluorophenyl)-6-methyl-N-(2-methylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824305
ethyl 2-[[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
CID 44824405
[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 44824314
6-(4-fluorophenyl)-3-methyl-N-(1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134051444
N-(2,6-difluorophenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 52902662
3-(2-fluorophenyl)-N-propan-2-yl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824319
N-[(2S)-butan-2-yl]-3-(2-fluorophenyl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51854979
3-(2-fluorophenyl)-N,N-dimethyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824382
2-fluoro-4-hydroxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 103940013
3-(2-methylphenyl)-1-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 29369411
6-methyl-3-(4-methylphenyl)-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315644
6-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 29091420

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44824325) is 3-(2-fluorophenyl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2nncs2)c2c(-c3ccccc3F)noc2n1.
What is the InChIKey of 3-(2-fluorophenyl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DMHAFFJZAUKTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN5O2S/c1-8-6-10(14(23)20-16-21-18-7-25-16)12-13(22-24-15(12)19-8)9-4-2-3-5-11(9)17/h2-7H,1H3,(H,20,21,23).
What are the key properties of 3-(2-fluorophenyl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-(2-fluorophenyl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 355.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44824325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).