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

C14H11FN4O2S — CID 90602820

IUPAC2-(4-fluorophenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1nc(-c2nnc(NC(=O)Cc3ccc(F)cc3)o2)cs1
InChIInChI=1S/C14H11FN4O2S/c1-8-16-11(7-22-8)13-18-19-14(21-13)17-12(20)6-9-2-4-10(15)5-3-9/h2-5,7H,6H2,1H3,(H,17,19,20)
InChIKeyLJMIMSNSXVASIK-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.82
Rot. Bonds4

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

2-(4-fluorophenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 90602820) has the molecular formula C14H11FN4O2S and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID90602820
Molecular FormulaC14H11FN4O2S
Molecular Weight318.33 g/mol
Exact Mass318.06
IUPAC Name2-(4-fluorophenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1nc(-c2nnc(NC(=O)Cc3ccc(F)cc3)o2)cs1
InChIInChI=1S/C14H11FN4O2S/c1-8-16-11(7-22-8)13-18-19-14(21-13)17-12(20)6-9-2-4-10(15)5-3-9/h2-5,7H,6H2,1H3,(H,17,19,20)
InChIKeyLJMIMSNSXVASIK-UHFFFAOYSA-N
XLogP2.82
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 90602823
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 25283247
2-(4-fluorophenyl)-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 11609085
2-(1-methylindol-3-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 90602717
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 43972042
2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90602753
3,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90602756
N-(4-fluorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383858
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-phenylbutanamide
CID 90602825
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 7597311
2,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90602901
1-(3,4-dimethylphenyl)-3-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]urea
CID 90602974

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]acetamide (CID 90602820) is 2-(4-fluorophenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]acetamide is Cc1nc(-c2nnc(NC(=O)Cc3ccc(F)cc3)o2)cs1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is LJMIMSNSXVASIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2S/c1-8-16-11(7-22-8)13-18-19-14(21-13)17-12(20)6-9-2-4-10(15)5-3-9/h2-5,7H,6H2,1H3,(H,17,19,20).
What are the key properties of 2-(4-fluorophenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-fluorophenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 318.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 90602820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).