N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylthiophene-2-carboxamide

C14H10FN3O2S — CID 171691794

IUPACN-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H10FN3O2S/c1-8-6-7-21-11(8)12(19)16-14-17-13(20-18-14)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,16,18,19)
InChIKeyCJXNDJJEZSOESA-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.50
Rot. Bonds3

About N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylthiophene-2-carboxamide

N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylthiophene-2-carboxamide (PubChem CID 171691794) has the molecular formula C14H10FN3O2S and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylthiophene-2-carboxamide
PubChem CID171691794
Molecular FormulaC14H10FN3O2S
Molecular Weight303.32 g/mol
Exact Mass303.05
IUPAC NameN-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H10FN3O2S/c1-8-6-7-21-11(8)12(19)16-14-17-13(20-18-14)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,16,18,19)
InChIKeyCJXNDJJEZSOESA-UHFFFAOYSA-N
XLogP3.50
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide
CID 50828790
2-(2,3-dimethylphenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide
CID 46299621
N-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 27906837
(2S)-2-(4-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]butanamide
CID 39868138
(2R)-2-(2-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide
CID 39868107
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 32991282
N-(5-phenyl-1,2,4-oxadiazol-3-yl)benzamide
CID 15643333
N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]-3-methylthiophene-2-carboxamide
CID 133286232
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide
CID 53163764
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 8801425
N-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
CID 2203267
3-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 30388319

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylthiophene-2-carboxamide (CID 171691794) is N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1noc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylthiophene-2-carboxamide?
The InChIKey is CJXNDJJEZSOESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2S/c1-8-6-7-21-11(8)12(19)16-14-17-13(20-18-14)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,16,18,19).
What are the key properties of N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylthiophene-2-carboxamide?
N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylthiophene-2-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 171691794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).