N-[(5-bromo-2-methoxyphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide

C21H20BrFN2O3 — CID 29416428

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)CCc1ncc(-c2ccccc2F)o1
InChIInChI=1S/C21H20BrFN2O3/c1-25(13-14-11-15(22)7-8-18(14)27-2)21(26)10-9-20-24-12-19(28-20)16-5-3-4-6-17(16)23/h3-8,11-12H,9-10,13H2,1-2H3
InChIKeyMHASLFGIMBHUKG-UHFFFAOYSA-N
MW447.30 g/mol
LogP4.84
Rot. Bonds7

About N-[(5-bromo-2-methoxyphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide

N-[(5-bromo-2-methoxyphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide (PubChem CID 29416428) has the molecular formula C21H20BrFN2O3 and a molecular weight of 447.30 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
PubChem CID29416428
Molecular FormulaC21H20BrFN2O3
Molecular Weight447.30 g/mol
Exact Mass446.06
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)CCc1ncc(-c2ccccc2F)o1
InChIInChI=1S/C21H20BrFN2O3/c1-25(13-14-11-15(22)7-8-18(14)27-2)21(26)10-9-20-24-12-19(28-20)16-5-3-4-6-17(16)23/h3-8,11-12H,9-10,13H2,1-2H3
InChIKeyMHASLFGIMBHUKG-UHFFFAOYSA-N
XLogP4.84
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.30
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 38072962
N-[(2,4-dimethylphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18168838
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886027
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267680
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695986
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 30533858
N-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18137368
N-(2,4-dibromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591581
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 60628279
N-[(2,3-dichlorophenyl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 29415847
N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18145565
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dimethylphenyl)methyl]-N-methylpropanamide
CID 33046155

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide (CID 29416428) is N-[(5-bromo-2-methoxyphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide is COc1ccc(Br)cc1CN(C)C(=O)CCc1ncc(-c2ccccc2F)o1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The InChIKey is MHASLFGIMBHUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrFN2O3/c1-25(13-14-11-15(22)7-8-18(14)27-2)21(26)10-9-20-24-12-19(28-20)16-5-3-4-6-17(16)23/h3-8,11-12H,9-10,13H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide has a molecular weight of 447.30 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide is sourced from PubChem (CID 29416428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).