N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide

C19H12BrN3O2 — CID 43976193

IUPACN-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
SMILESO=C(Nc1nnc(-c2cccc(Br)c2)o1)c1cccc2ccccc12
InChIInChI=1S/C19H12BrN3O2/c20-14-8-3-7-13(11-14)18-22-23-19(25-18)21-17(24)16-10-4-6-12-5-1-2-9-15(12)16/h1-11H,(H,21,23,24)
InChIKeyGHKJPMFOMZISJF-UHFFFAOYSA-N
MW394.23 g/mol
LogP4.90
Rot. Bonds3

About N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide

N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide (PubChem CID 43976193) has the molecular formula C19H12BrN3O2 and a molecular weight of 394.23 g/mol. Its IUPAC name is N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
PubChem CID43976193
Molecular FormulaC19H12BrN3O2
Molecular Weight394.23 g/mol
Exact Mass393.01
IUPAC NameN-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
SMILESO=C(Nc1nnc(-c2cccc(Br)c2)o1)c1cccc2ccccc12
InChIInChI=1S/C19H12BrN3O2/c20-14-8-3-7-13(11-14)18-22-23-19(25-18)21-17(24)16-10-4-6-12-5-1-2-9-15(12)16/h1-11H,(H,21,23,24)
InChIKeyGHKJPMFOMZISJF-UHFFFAOYSA-N
XLogP4.90
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 41227527
N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 16861328
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 43978016
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide
CID 43976114
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43976122
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 43976197
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide
CID 43976145
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide
CID 43976308
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 43976295
3-bromo-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43971814
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide
CID 43976222
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 43976109

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide (CID 43976193) is N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide is O=C(Nc1nnc(-c2cccc(Br)c2)o1)c1cccc2ccccc12.
What is the InChIKey of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide?
The InChIKey is GHKJPMFOMZISJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN3O2/c20-14-8-3-7-13(11-14)18-22-23-19(25-18)21-17(24)16-10-4-6-12-5-1-2-9-15(12)16/h1-11H,(H,21,23,24).
What are the key properties of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide?
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide has a molecular weight of 394.23 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 43976193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).