N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(2-fluorophenyl)acetamide

C17H14FN3O2S — CID 90608029

IUPACN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)Nc1ccsc1-c1nc(C2CC2)no1
InChIInChI=1S/C17H14FN3O2S/c18-12-4-2-1-3-11(12)9-14(22)19-13-7-8-24-15(13)17-20-16(21-23-17)10-5-6-10/h1-4,7-8,10H,5-6,9H2,(H,19,22)
InChIKeyJTEKDLXTOJTVAG-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.00
Rot. Bonds5

About N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(2-fluorophenyl)acetamide

N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(2-fluorophenyl)acetamide (PubChem CID 90608029) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(2-fluorophenyl)acetamide
PubChem CID90608029
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)Nc1ccsc1-c1nc(C2CC2)no1
InChIInChI=1S/C17H14FN3O2S/c18-12-4-2-1-3-11(12)9-14(22)19-13-7-8-24-15(13)17-20-16(21-23-17)10-5-6-10/h1-4,7-8,10H,5-6,9H2,(H,19,22)
InChIKeyJTEKDLXTOJTVAG-UHFFFAOYSA-N
XLogP4.00
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]propanamide
CID 90607864
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 90608052
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-indol-1-ylacetamide
CID 90607818
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]pent-4-enamide
CID 90607851
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]cyclopropanecarboxamide
CID 90607872
benzyl N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]carbamate
CID 90608057
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]pyrimidine-2-carboxamide
CID 90608082
1-cyclohexyl-3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90608086
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(2-methoxyethyl)urea
CID 90608125
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 90607987
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(trifluoromethoxy)benzamide
CID 90608061
3-chloro-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607906

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(2-fluorophenyl)acetamide (CID 90608029) is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(2-fluorophenyl)acetamide is O=C(Cc1ccccc1F)Nc1ccsc1-c1nc(C2CC2)no1.
What is the InChIKey of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(2-fluorophenyl)acetamide?
The InChIKey is JTEKDLXTOJTVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c18-12-4-2-1-3-11(12)9-14(22)19-13-7-8-24-15(13)17-20-16(21-23-17)10-5-6-10/h1-4,7-8,10H,5-6,9H2,(H,19,22).
What are the key properties of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(2-fluorophenyl)acetamide?
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(2-fluorophenyl)acetamide has a molecular weight of 343.38 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 90608029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).