3-fluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide

C14H10FN3O2S — CID 51097703

IUPAC3-fluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
SMILESO=C(NCc1noc(-c2cccs2)n1)c1cccc(F)c1
InChIInChI=1S/C14H10FN3O2S/c15-10-4-1-3-9(7-10)13(19)16-8-12-17-14(20-18-12)11-5-2-6-21-11/h1-7H,8H2,(H,16,19)
InChIKeyUMSPFRZGNWKIQZ-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.87
Rot. Bonds4

About 3-fluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide

3-fluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide (PubChem CID 51097703) has the molecular formula C14H10FN3O2S and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-fluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
PubChem CID51097703
Molecular FormulaC14H10FN3O2S
Molecular Weight303.32 g/mol
Exact Mass303.05
IUPAC Name3-fluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
SMILESO=C(NCc1noc(-c2cccs2)n1)c1cccc(F)c1
InChIInChI=1S/C14H10FN3O2S/c15-10-4-1-3-9(7-10)13(19)16-8-12-17-14(20-18-12)11-5-2-6-21-11/h1-7H,8H2,(H,16,19)
InChIKeyUMSPFRZGNWKIQZ-UHFFFAOYSA-N
XLogP2.87
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-difluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 50755903
2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide
CID 50964431
6-chloro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 50755766
N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 74233190
5-oxo-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 131928804
4-methoxy-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide
CID 131911637
1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 100682947
1,3,6-trimethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 131893193
2-(2,6-dimethylanilino)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 131894083
5-methyl-1-(2-methylpropyl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide
CID 122133107
(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 2-[(2-fluorobenzoyl)amino]acetate
CID 37326452
3-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867616

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide (CID 51097703) is 3-fluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide is O=C(NCc1noc(-c2cccs2)n1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The InChIKey is UMSPFRZGNWKIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2S/c15-10-4-1-3-9(7-10)13(19)16-8-12-17-14(20-18-12)11-5-2-6-21-11/h1-7H,8H2,(H,16,19).
What are the key properties of 3-fluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
3-fluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide has a molecular weight of 303.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide is sourced from PubChem (CID 51097703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).