N-[2-(3-bromophenyl)ethyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide

C18H14BrClN2O2 — CID 57383727

IUPACN-[2-(3-bromophenyl)ethyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1cccc(Br)c1)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C18H14BrClN2O2/c19-14-3-1-2-12(10-14)8-9-21-18(23)16-11-17(24-22-16)13-4-6-15(20)7-5-13/h1-7,10-11H,8-9H2,(H,21,23)
InChIKeyVVARBPPNLLBZNE-UHFFFAOYSA-N
MW405.68 g/mol
LogP4.73
Rot. Bonds5

About N-[2-(3-bromophenyl)ethyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide

N-[2-(3-bromophenyl)ethyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 57383727) has the molecular formula C18H14BrClN2O2 and a molecular weight of 405.68 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)ethyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)ethyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID57383727
Molecular FormulaC18H14BrClN2O2
Molecular Weight405.68 g/mol
Exact Mass403.99
IUPAC NameN-[2-(3-bromophenyl)ethyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1cccc(Br)c1)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C18H14BrClN2O2/c19-14-3-1-2-12(10-14)8-9-21-18(23)16-11-17(24-22-16)13-4-6-15(20)7-5-13/h1-7,10-11H,8-9H2,(H,21,23)
InChIKeyVVARBPPNLLBZNE-UHFFFAOYSA-N
XLogP4.73
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.68
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 119507911
5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 15994186
N-[2-(3-chlorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxamide
CID 68723285
2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113098238
N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 24738150
N-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119498092
5-phenyl-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 24738148
5-(3-chlorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 78862555
N-(2-amino-2-methylpropyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119629061
5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3241430
5-(4-bromophenyl)-N-butyl-1,2-oxazole-3-carboxamide
CID 22427396
N-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 91954603

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)ethyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(3-bromophenyl)ethyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide (CID 57383727) is N-[2-(3-bromophenyl)ethyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(3-bromophenyl)ethyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(3-bromophenyl)ethyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide is O=C(NCCc1cccc(Br)c1)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of N-[2-(3-bromophenyl)ethyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is VVARBPPNLLBZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN2O2/c19-14-3-1-2-12(10-14)8-9-21-18(23)16-11-17(24-22-16)13-4-6-15(20)7-5-13/h1-7,10-11H,8-9H2,(H,21,23).
What are the key properties of N-[2-(3-bromophenyl)ethyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
N-[2-(3-bromophenyl)ethyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 405.68 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)ethyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 57383727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).