3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethylphenyl)ethyl]propanamide

C22H22F2N2O2 — CID 134036413

IUPAC3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethylphenyl)ethyl]propanamide
SMILESCCc1ccc(C(C)NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1
InChIInChI=1S/C22H22F2N2O2/c1-3-15-4-6-16(7-5-15)14(2)26-21(27)10-11-22-25-13-20(28-22)18-9-8-17(23)12-19(18)24/h4-9,12-14H,3,10-11H2,1-2H3,(H,26,27)
InChIKeyGRULQQZHIXYFKK-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.99
Rot. Bonds7

About 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethylphenyl)ethyl]propanamide

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethylphenyl)ethyl]propanamide (PubChem CID 134036413) has the molecular formula C22H22F2N2O2 and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethylphenyl)ethyl]propanamide
PubChem CID134036413
Molecular FormulaC22H22F2N2O2
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethylphenyl)ethyl]propanamide
SMILESCCc1ccc(C(C)NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1
InChIInChI=1S/C22H22F2N2O2/c1-3-15-4-6-16(7-5-15)14(2)26-21(27)10-11-22-25-13-20(28-22)18-9-8-17(23)12-19(18)24/h4-9,12-14H,3,10-11H2,1-2H3,(H,26,27)
InChIKeyGRULQQZHIXYFKK-UHFFFAOYSA-N
XLogP4.99
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide
CID 55894656
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 29476568
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide
CID 22830619
N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 42931318
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 51315733
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 18162891
N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 43067897
propan-2-yl 3-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanoate
CID 134011520
2-cyclopropyl-2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetic acid
CID 119213751
N-(2-aminoethyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119383503
N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 127122521
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 16596736

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethylphenyl)ethyl]propanamide?
The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethylphenyl)ethyl]propanamide (CID 134036413) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethylphenyl)ethyl]propanamide is CCc1ccc(C(C)NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1.
What is the InChIKey of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethylphenyl)ethyl]propanamide?
The InChIKey is GRULQQZHIXYFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O2/c1-3-15-4-6-16(7-5-15)14(2)26-21(27)10-11-22-25-13-20(28-22)18-9-8-17(23)12-19(18)24/h4-9,12-14H,3,10-11H2,1-2H3,(H,26,27).
What are the key properties of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethylphenyl)ethyl]propanamide?
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethylphenyl)ethyl]propanamide has a molecular weight of 384.43 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethylphenyl)ethyl]propanamide is sourced from PubChem (CID 134036413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).