N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-methoxythiophene-2-carboxamide

C15H11F2N3O3S — CID 154859447

IUPACN-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)Nc1cccc(-c2noc(C(F)F)n2)c1
InChIInChI=1S/C15H11F2N3O3S/c1-22-10-5-6-24-11(10)14(21)18-9-4-2-3-8(7-9)13-19-15(12(16)17)23-20-13/h2-7,12H,1H3,(H,18,21)
InChIKeyBFLQMRZZNILAJQ-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.00
Rot. Bonds5

About N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-methoxythiophene-2-carboxamide

N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-methoxythiophene-2-carboxamide (PubChem CID 154859447) has the molecular formula C15H11F2N3O3S and a molecular weight of 351.33 g/mol. Its IUPAC name is N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-methoxythiophene-2-carboxamide
PubChem CID154859447
Molecular FormulaC15H11F2N3O3S
Molecular Weight351.33 g/mol
Exact Mass351.05
IUPAC NameN-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)Nc1cccc(-c2noc(C(F)F)n2)c1
InChIInChI=1S/C15H11F2N3O3S/c1-22-10-5-6-24-11(10)14(21)18-9-4-2-3-8(7-9)13-19-15(12(16)17)23-20-13/h2-7,12H,1H3,(H,18,21)
InChIKeyBFLQMRZZNILAJQ-UHFFFAOYSA-N
XLogP4.00
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-oxocyclobutane-1-carboxamide
CID 122152346
1,1-dimethyl-3-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 54347886
1-(2,5-dimethoxyphenyl)-3-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 53209928
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide
CID 53041755
3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266946
4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266948
2-chloro-N-[3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4,5-difluorobenzamide
CID 39854105
3-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 81119623
3,4-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 46266966
2-[ethyl-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 112807383
1-(3-chloro-4-methoxyphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50777590
2-hydroxy-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
CID 81118004

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-methoxythiophene-2-carboxamide (CID 154859447) is N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)Nc1cccc(-c2noc(C(F)F)n2)c1.
What is the InChIKey of N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-methoxythiophene-2-carboxamide?
The InChIKey is BFLQMRZZNILAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O3S/c1-22-10-5-6-24-11(10)14(21)18-9-4-2-3-8(7-9)13-19-15(12(16)17)23-20-13/h2-7,12H,1H3,(H,18,21).
What are the key properties of N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-methoxythiophene-2-carboxamide?
N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-methoxythiophene-2-carboxamide has a molecular weight of 351.33 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 154859447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).