3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide

C18H18F2N4O2S — CID 18135040

IUPAC3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C)Cc1nnc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)s1
InChIInChI=1S/C18H18F2N4O2S/c1-10(2)8-16-23-24-18(27-16)22-14(25)6-7-15-21-9-13(26-15)17-11(19)4-3-5-12(17)20/h3-5,9-10H,6-8H2,1-2H3,(H,22,24,25)
InChIKeyRGSIBTMXNGDCJI-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.24
Rot. Bonds7

About 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 18135040) has the molecular formula C18H18F2N4O2S and a molecular weight of 392.43 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID18135040
Molecular FormulaC18H18F2N4O2S
Molecular Weight392.43 g/mol
Exact Mass392.11
IUPAC Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C)Cc1nnc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)s1
InChIInChI=1S/C18H18F2N4O2S/c1-10(2)8-16-23-24-18(27-16)22-14(25)6-7-15-21-9-13(26-15)17-11(19)4-3-5-12(17)20/h3-5,9-10H,6-8H2,1-2H3,(H,22,24,25)
InChIKeyRGSIBTMXNGDCJI-UHFFFAOYSA-N
XLogP4.24
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]-3-methylbutanamide
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3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-4-ylpropanamide
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CID 43068627
N-(4-acetylphenyl)-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
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N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 24626319
2-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
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3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-4-ylethyl)propanamide
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3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)phenyl]propanamide
CID 30875412
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
CID 51074990
3-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 103601483
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 46525604

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 18135040) is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide is CC(C)Cc1nnc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)s1.
What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is RGSIBTMXNGDCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2S/c1-10(2)8-16-23-24-18(27-16)22-14(25)6-7-15-21-9-13(26-15)17-11(19)4-3-5-12(17)20/h3-5,9-10H,6-8H2,1-2H3,(H,22,24,25).
What are the key properties of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide?
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 392.43 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 18135040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).