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

C22H24F2N2O2 — CID 17445582

IUPACN-(1-adamantyl)-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2c(F)cccc2F)o1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H24F2N2O2/c23-16-2-1-3-17(24)21(16)18-12-25-20(28-18)5-4-19(27)26-22-9-13-6-14(10-22)8-15(7-13)11-22/h1-3,12-15H,4-11H2,(H,26,27)
InChIKeyFMHJOTUSKUDXRM-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.64
Rot. Bonds5

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

N-(1-adamantyl)-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 17445582) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is N-(1-adamantyl)-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID17445582
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC NameN-(1-adamantyl)-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2c(F)cccc2F)o1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H24F2N2O2/c23-16-2-1-3-17(24)21(16)18-12-25-20(28-18)5-4-19(27)26-22-9-13-6-14(10-22)8-15(7-13)11-22/h1-3,12-15H,4-11H2,(H,26,27)
InChIKeyFMHJOTUSKUDXRM-UHFFFAOYSA-N
XLogP4.64
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
CID 51074990
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-4-ylpropanamide
CID 17454266
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,2-diphenylethyl)propanamide
CID 46446286
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 46688995
N-(4-acetylphenyl)-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 25399121
N-[4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]-3-methylbutanamide
CID 33037356
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-4-ylethyl)propanamide
CID 46418774
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-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 43068627
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 30136997
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 42931025
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 18135040

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(1-adamantyl)-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 17445582) is N-(1-adamantyl)-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(1-adamantyl)-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(1-adamantyl)-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2c(F)cccc2F)o1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is FMHJOTUSKUDXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c23-16-2-1-3-17(24)21(16)18-12-25-20(28-18)5-4-19(27)26-22-9-13-6-14(10-22)8-15(7-13)11-22/h1-3,12-15H,4-11H2,(H,26,27).
What are the key properties of N-(1-adamantyl)-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-(1-adamantyl)-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 386.44 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 17445582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).