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

C18H15BrN2O3 — CID 17014685

IUPACN-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1
InChIInChI=1S/C18H15BrN2O3/c1-2-23-15-9-5-13(6-10-15)18(22)20-17-11-16(21-24-17)12-3-7-14(19)8-4-12/h3-11H,2H2,1H3,(H,20,22)
InChIKeyPNLHGVFZISTKHT-UHFFFAOYSA-N
MW387.23 g/mol
LogP4.76
Rot. Bonds5

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

N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethoxybenzamide (PubChem CID 17014685) has the molecular formula C18H15BrN2O3 and a molecular weight of 387.23 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethoxybenzamide
PubChem CID17014685
Molecular FormulaC18H15BrN2O3
Molecular Weight387.23 g/mol
Exact Mass386.03
IUPAC NameN-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1
InChIInChI=1S/C18H15BrN2O3/c1-2-23-15-9-5-13(6-10-15)18(22)20-17-11-16(21-24-17)12-3-7-14(19)8-4-12/h3-11H,2H2,1H3,(H,20,22)
InChIKeyPNLHGVFZISTKHT-UHFFFAOYSA-N
XLogP4.76
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-propoxybenzamide
CID 17014692
N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-pentoxybenzamide
CID 35344022
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56529985
4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide
CID 47267913
methyl N-[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]carbamate
CID 174638480
4-(2-methylpropoxy)-N-(3-phenyl-1,2-oxazol-5-yl)benzamide;trideca-1,2,3,4,5,6,7,8,9,10,11,12-dodecaene
CID 160707197
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate
CID 55318570
4-ethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593586
N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-2-(2,6-dimethylphenoxy)acetamide
CID 17014686
2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid
CID 82295661
methyl 2-[4-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]carbamoyl]-2-methoxyphenoxy]acetate
CID 56570036

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethoxybenzamide?
The IUPAC name of N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethoxybenzamide (CID 17014685) is N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethoxybenzamide.
What is the SMILES notation for N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethoxybenzamide?
The canonical SMILES for N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1.
What is the InChIKey of N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethoxybenzamide?
The InChIKey is PNLHGVFZISTKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3/c1-2-23-15-9-5-13(6-10-15)18(22)20-17-11-16(21-24-17)12-3-7-14(19)8-4-12/h3-11H,2H2,1H3,(H,20,22).
What are the key properties of N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethoxybenzamide?
N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethoxybenzamide has a molecular weight of 387.23 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethoxybenzamide is sourced from PubChem (CID 17014685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).