3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide

C19H20F2N4O2S — CID 78869873

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)(C)c1noc(CCC(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)n1
InChIInChI=1S/C19H20F2N4O2S/c1-19(2,3)17-24-16(27-25-17)7-6-15(26)23-18-22-10-12(28-18)8-11-4-5-13(20)14(21)9-11/h4-5,9-10H,6-8H2,1-3H3,(H,22,23,26)
InChIKeyQMPINDQWUHGAAT-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.26
Rot. Bonds6

About 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 78869873) has the molecular formula C19H20F2N4O2S and a molecular weight of 406.46 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
PubChem CID78869873
Molecular FormulaC19H20F2N4O2S
Molecular Weight406.46 g/mol
Exact Mass406.13
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)(C)c1noc(CCC(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)n1
InChIInChI=1S/C19H20F2N4O2S/c1-19(2,3)17-24-16(27-25-17)7-6-15(26)23-18-22-10-12(28-18)8-11-4-5-13(20)14(21)9-11/h4-5,9-10H,6-8H2,1-3H3,(H,22,23,26)
InChIKeyQMPINDQWUHGAAT-UHFFFAOYSA-N
XLogP4.26
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide
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N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
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4-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide
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N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
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N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide (CID 78869873) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide is CC(C)(C)c1noc(CCC(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)n1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is QMPINDQWUHGAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O2S/c1-19(2,3)17-24-16(27-25-17)7-6-15(26)23-18-22-10-12(28-18)8-11-4-5-13(20)14(21)9-11/h4-5,9-10H,6-8H2,1-3H3,(H,22,23,26).
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 406.46 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 78869873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).