N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophene-2-carboxamide

C20H14FN3O2S — CID 92873757

IUPACN-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophene-2-carboxamide
SMILESO=C(N[C@H](c1ccc(F)cc1)c1nnc(-c2ccccc2)o1)c1cccs1
InChIInChI=1S/C20H14FN3O2S/c21-15-10-8-13(9-11-15)17(22-18(25)16-7-4-12-27-16)20-24-23-19(26-20)14-5-2-1-3-6-14/h1-12,17H,(H,22,25)/t17-/m1/s1
InChIKeyRDBUPQOVDFKGAA-QGZVFWFLSA-N
MW379.42 g/mol
LogP4.46
Rot. Bonds5

About N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophene-2-carboxamide

N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 92873757) has the molecular formula C20H14FN3O2S and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophene-2-carboxamide
PubChem CID92873757
Molecular FormulaC20H14FN3O2S
Molecular Weight379.42 g/mol
Exact Mass379.08
IUPAC NameN-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophene-2-carboxamide
SMILESO=C(N[C@H](c1ccc(F)cc1)c1nnc(-c2ccccc2)o1)c1cccs1
InChIInChI=1S/C20H14FN3O2S/c21-15-10-8-13(9-11-15)17(22-18(25)16-7-4-12-27-16)20-24-23-19(26-20)14-5-2-1-3-6-14/h1-12,17H,(H,22,25)/t17-/m1/s1
InChIKeyRDBUPQOVDFKGAA-QGZVFWFLSA-N
XLogP4.46
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 92873818
2,6-difluoro-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 46345862
N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
CID 92873762
1-(4-fluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 20944414
1-(4-chlorophenyl)-3-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 92750553
N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 92880072
N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 50795617
2-bromo-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 22433640
N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]furan-2-carboxamide
CID 92725599
1-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 92711015
N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-carboxamide
CID 110321054
ethyl 4-[[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]benzoate
CID 92707756

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophene-2-carboxamide (CID 92873757) is N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophene-2-carboxamide is O=C(N[C@H](c1ccc(F)cc1)c1nnc(-c2ccccc2)o1)c1cccs1.
What is the InChIKey of N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is RDBUPQOVDFKGAA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H14FN3O2S/c21-15-10-8-13(9-11-15)17(22-18(25)16-7-4-12-27-16)20-24-23-19(26-20)14-5-2-1-3-6-14/h1-12,17H,(H,22,25)/t17-/m1/s1.
What are the key properties of N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophene-2-carboxamide?
N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 92873757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).