N-(2-bromophenyl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide

C19H17BrN2O3 — CID 95047586

IUPACN-(2-bromophenyl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCOc1ccc(-c2cnc(CCC(=O)Nc3ccccc3Br)o2)cc1
InChIInChI=1S/C19H17BrN2O3/c1-24-14-8-6-13(7-9-14)17-12-21-19(25-17)11-10-18(23)22-16-5-3-2-4-15(16)20/h2-9,12H,10-11H2,1H3,(H,22,23)
InChIKeyDAHKNLXPMMAOBB-UHFFFAOYSA-N
MW401.26 g/mol
LogP4.68
Rot. Bonds6

About N-(2-bromophenyl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide

N-(2-bromophenyl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 95047586) has the molecular formula C19H17BrN2O3 and a molecular weight of 401.26 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID95047586
Molecular FormulaC19H17BrN2O3
Molecular Weight401.26 g/mol
Exact Mass400.04
IUPAC NameN-(2-bromophenyl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCOc1ccc(-c2cnc(CCC(=O)Nc3ccccc3Br)o2)cc1
InChIInChI=1S/C19H17BrN2O3/c1-24-14-8-6-13(7-9-14)17-12-21-19(25-17)11-10-18(23)22-16-5-3-2-4-15(16)20/h2-9,12H,10-11H2,1H3,(H,22,23)
InChIKeyDAHKNLXPMMAOBB-UHFFFAOYSA-N
XLogP4.68
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55905133
N-(2,4-dibromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16591578
N-(2-bromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590286
N-(3,5-dimethoxyphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422470
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316
N-[2-chloro-5-(methylsulfinylmethyl)phenyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 86965112
N-(2-chlorophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590370
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)propanamide
CID 17437982
N-(2-methoxy-5-methylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51309889
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 60555563
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-propoxyphenyl)propanamide
CID 46525988
N-[4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2,5-dimethoxyphenyl]benzamide
CID 16594505

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(2-bromophenyl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide (CID 95047586) is N-(2-bromophenyl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(2-bromophenyl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide is COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3Br)o2)cc1.
What is the InChIKey of N-(2-bromophenyl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is DAHKNLXPMMAOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3/c1-24-14-8-6-13(7-9-14)17-12-21-19(25-17)11-10-18(23)22-16-5-3-2-4-15(16)20/h2-9,12H,10-11H2,1H3,(H,22,23).
What are the key properties of N-(2-bromophenyl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
N-(2-bromophenyl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 401.26 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 95047586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).