2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide

C20H19BrN2O3 — CID 133150117

IUPAC2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C20H19BrN2O3/c1-13(12-25-2)23-19(24)16-5-3-4-6-17(16)20-22-11-18(26-20)14-7-9-15(21)10-8-14/h3-11,13H,12H2,1-2H3,(H,23,24)
InChIKeyWTFIFMFOFLSIAD-UHFFFAOYSA-N
MW415.29 g/mol
LogP4.54
Rot. Bonds6

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

2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 133150117) has the molecular formula C20H19BrN2O3 and a molecular weight of 415.29 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide
PubChem CID133150117
Molecular FormulaC20H19BrN2O3
Molecular Weight415.29 g/mol
Exact Mass414.06
IUPAC Name2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C20H19BrN2O3/c1-13(12-25-2)23-19(24)16-5-3-4-6-17(16)20-22-11-18(26-20)14-7-9-15(21)10-8-14/h3-11,13H,12H2,1-2H3,(H,23,24)
InChIKeyWTFIFMFOFLSIAD-UHFFFAOYSA-N
XLogP4.54
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide
CID 133159873
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-butan-2-yl]benzamide
CID 100508690
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-pentan-2-yl]benzamide
CID 100510062
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 100510298
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-chlorophenyl)ethyl]benzamide
CID 133150118
2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2R)-pentan-2-yl]benzamide
CID 100503337
N-butan-2-yl-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 133150056
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide
CID 100510051
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 133150119
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-pentan-2-ylbenzamide
CID 133159870
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 100508849
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide
CID 100509744

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide (CID 133150117) is 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide is COCC(C)NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is WTFIFMFOFLSIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O3/c1-13(12-25-2)23-19(24)16-5-3-4-6-17(16)20-22-11-18(26-20)14-7-9-15(21)10-8-14/h3-11,13H,12H2,1-2H3,(H,23,24).
What are the key properties of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide?
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 415.29 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 133150117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).