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

C19H15FN4O3S — CID 110632064

IUPAC2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCc1oc(-c2cccc(F)c2)nc1CC(=O)NCc1nc(-c2cccs2)no1
InChIInChI=1S/C19H15FN4O3S/c1-11-14(22-19(26-11)12-4-2-5-13(20)8-12)9-16(25)21-10-17-23-18(24-27-17)15-6-3-7-28-15/h2-8H,9-10H2,1H3,(H,21,25)
InChIKeyIGKHULJWALKBLY-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.76
Rot. Bonds6

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

2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 110632064) has the molecular formula C19H15FN4O3S and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID110632064
Molecular FormulaC19H15FN4O3S
Molecular Weight398.42 g/mol
Exact Mass398.08
IUPAC Name2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCc1oc(-c2cccc(F)c2)nc1CC(=O)NCc1nc(-c2cccs2)no1
InChIInChI=1S/C19H15FN4O3S/c1-11-14(22-19(26-11)12-4-2-5-13(20)8-12)9-16(25)21-10-17-23-18(24-27-17)15-6-3-7-28-15/h2-8H,9-10H2,1H3,(H,21,25)
InChIKeyIGKHULJWALKBLY-UHFFFAOYSA-N
XLogP3.76
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 110632064) is 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is Cc1oc(-c2cccc(F)c2)nc1CC(=O)NCc1nc(-c2cccs2)no1.
What is the InChIKey of 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is IGKHULJWALKBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3S/c1-11-14(22-19(26-11)12-4-2-5-13(20)8-12)9-16(25)21-10-17-23-18(24-27-17)15-6-3-7-28-15/h2-8H,9-10H2,1H3,(H,21,25).
What are the key properties of 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 398.42 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 110632064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).