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

C19H16FN5O3S2 — CID 50811716

IUPAC3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCc2nc(CSc3nc(-c4ccc(F)cc4)cs3)no2)no1
InChIInChI=1S/C19H16FN5O3S2/c1-11-8-15(24-27-11)22-17(26)6-7-18-23-16(25-28-18)10-30-19-21-14(9-29-19)12-2-4-13(20)5-3-12/h2-5,8-9H,6-7,10H2,1H3,(H,22,24,26)
InChIKeyBFFSNOPTRHGMLF-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.49
Rot. Bonds8

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

3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 50811716) has the molecular formula C19H16FN5O3S2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID50811716
Molecular FormulaC19H16FN5O3S2
Molecular Weight445.50 g/mol
Exact Mass445.07
IUPAC Name3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCc2nc(CSc3nc(-c4ccc(F)cc4)cs3)no2)no1
InChIInChI=1S/C19H16FN5O3S2/c1-11-8-15(24-27-11)22-17(26)6-7-18-23-16(25-28-18)10-30-19-21-14(9-29-19)12-2-4-13(20)5-3-12/h2-5,8-9H,6-7,10H2,1H3,(H,22,24,26)
InChIKeyBFFSNOPTRHGMLF-UHFFFAOYSA-N
XLogP4.49
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 50812176
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2591156
N-(2,4-difluorophenyl)-3-[3-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 50809828
N-(2-fluorophenyl)-3-[3-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 50810073
3-[3-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46366803
N-(3,5-difluorophenyl)-3-[3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 50809833
N-(2,4-dimethylphenyl)-3-[3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 46366766
N-(5-methyl-1,2-oxazol-3-yl)-3-[3-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 50810039
3-[3-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-(5-fluoro-2-methylphenyl)propanamide
CID 50810012
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 31340196
N-(4-fluorophenyl)-3-[3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 50810023
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide
CID 3941579

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 50811716) is 3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCc2nc(CSc3nc(-c4ccc(F)cc4)cs3)no2)no1.
What is the InChIKey of 3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is BFFSNOPTRHGMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O3S2/c1-11-8-15(24-27-11)22-17(26)6-7-18-23-16(25-28-18)10-30-19-21-14(9-29-19)12-2-4-13(20)5-3-12/h2-5,8-9H,6-7,10H2,1H3,(H,22,24,26).
What are the key properties of 3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 445.50 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 50811716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).