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

C22H18F2N2O3 — CID 18138575

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC(NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1cc2ccccc2o1
InChIInChI=1S/C22H18F2N2O3/c1-13(18-11-14-5-2-3-8-17(14)28-18)26-20(27)9-10-21-25-12-19(29-21)22-15(23)6-4-7-16(22)24/h2-8,11-13H,9-10H2,1H3,(H,26,27)
InChIKeyPOQBKAQHKJKFPR-UHFFFAOYSA-N
MW396.39 g/mol
LogP5.18
Rot. Bonds6

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

N-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 18138575) has the molecular formula C22H18F2N2O3 and a molecular weight of 396.39 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID18138575
Molecular FormulaC22H18F2N2O3
Molecular Weight396.39 g/mol
Exact Mass396.13
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC(NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1cc2ccccc2o1
InChIInChI=1S/C22H18F2N2O3/c1-13(18-11-14-5-2-3-8-17(14)28-18)26-20(27)9-10-21-25-12-19(29-21)22-15(23)6-4-7-16(22)24/h2-8,11-13H,9-10H2,1H3,(H,26,27)
InChIKeyPOQBKAQHKJKFPR-UHFFFAOYSA-N
XLogP5.18
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.39
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-4-ylethyl)propanamide
CID 46418774
N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 30171895
N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 32597256
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 46688995
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9369742
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-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 24597051
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,2-diphenylethyl)propanamide
CID 46446286
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 30014395
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
N-[1-(1-benzofuran-2-yl)ethyl]-3-(furan-2-yl)propanamide
CID 51206809
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 9366156

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 18138575) is N-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide is CC(NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is POQBKAQHKJKFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O3/c1-13(18-11-14-5-2-3-8-17(14)28-18)26-20(27)9-10-21-25-12-19(29-21)22-15(23)6-4-7-16(22)24/h2-8,11-13H,9-10H2,1H3,(H,26,27).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 396.39 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 18138575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).