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

C19H12BrN3O2 — CID 16821911

IUPACN-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccc2ccccc2c1
InChIInChI=1S/C19H12BrN3O2/c20-16-9-7-13(8-10-16)18-22-23-19(25-18)21-17(24)15-6-5-12-3-1-2-4-14(12)11-15/h1-11H,(H,21,23,24)
InChIKeyXPLYQIVDKIYTSD-UHFFFAOYSA-N
MW394.23 g/mol
LogP4.90
Rot. Bonds3

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

N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide (PubChem CID 16821911) has the molecular formula C19H12BrN3O2 and a molecular weight of 394.23 g/mol. Its IUPAC name is N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
PubChem CID16821911
Molecular FormulaC19H12BrN3O2
Molecular Weight394.23 g/mol
Exact Mass393.01
IUPAC NameN-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccc2ccccc2c1
InChIInChI=1S/C19H12BrN3O2/c20-16-9-7-13(8-10-16)18-22-23-19(25-18)21-17(24)15-6-5-12-3-1-2-4-14(12)11-15/h1-11H,(H,21,23,24)
InChIKeyXPLYQIVDKIYTSD-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

4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821866
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43975665
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43978018
N-[5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 41227030
4-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45016585
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 16821894
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 90603114
2-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45019880
4-bromo-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4591135
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 41146905
N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 17171735
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 43976197

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide (CID 16821911) is N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide is O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccc2ccccc2c1.
What is the InChIKey of N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide?
The InChIKey is XPLYQIVDKIYTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN3O2/c20-16-9-7-13(8-10-16)18-22-23-19(25-18)21-17(24)15-6-5-12-3-1-2-4-14(12)11-15/h1-11H,(H,21,23,24).
What are the key properties of N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide?
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-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-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 16821911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).