N-[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide

C20H15FN4O2S — CID 50755399

IUPACN-[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide
SMILESCCc1nc(NC(=O)c2ccccc2F)sc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C20H15FN4O2S/c1-2-15-16(19-23-17(25-27-19)12-8-4-3-5-9-12)28-20(22-15)24-18(26)13-10-6-7-11-14(13)21/h3-11H,2H2,1H3,(H,22,24,26)
InChIKeyDRZAEDLOHFNZCQ-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.81
Rot. Bonds5

About N-[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide

N-[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide (PubChem CID 50755399) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide
PubChem CID50755399
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC NameN-[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide
SMILESCCc1nc(NC(=O)c2ccccc2F)sc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C20H15FN4O2S/c1-2-15-16(19-23-17(25-27-19)12-8-4-3-5-9-12)28-20(22-15)24-18(26)13-10-6-7-11-14(13)21/h3-11H,2H2,1H3,(H,22,24,26)
InChIKeyDRZAEDLOHFNZCQ-UHFFFAOYSA-N
XLogP4.81
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]pentanamide
CID 50755301
2-fluoro-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 39042306
4-fluoro-N-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-propan-2-yl-1,3-thiazol-2-yl]benzamide
CID 50754486
4-bromo-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 39040541
N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 39042983
2-fluoro-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 39867075
4-fluoro-N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 39042536
N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-fluorobenzamide
CID 50747838
5-(4-methylphenyl)-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 39041608
3,4,5-trimethoxy-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 39041216
2-fluoro-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide
CID 91888381
2-[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82058768

Frequently Asked Questions

What is the IUPAC name of N-[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide (CID 50755399) is N-[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide is CCc1nc(NC(=O)c2ccccc2F)sc1-c1nc(-c2ccccc2)no1.
What is the InChIKey of N-[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
The InChIKey is DRZAEDLOHFNZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c1-2-15-16(19-23-17(25-27-19)12-8-4-3-5-9-12)28-20(22-15)24-18(26)13-10-6-7-11-14(13)21/h3-11H,2H2,1H3,(H,22,24,26).
What are the key properties of N-[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
N-[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide has a molecular weight of 394.43 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 50755399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).