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

C20H15N3O2 — CID 25284207

IUPACN-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1-carboxamide
SMILESCc1nnc(-c2ccc(NC(=O)c3cccc4ccccc34)cc2)o1
InChIInChI=1S/C20H15N3O2/c1-13-22-23-20(25-13)15-9-11-16(12-10-15)21-19(24)18-8-4-6-14-5-2-3-7-17(14)18/h2-12H,1H3,(H,21,24)
InChIKeySGYNVMCWWXYHTH-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.45
Rot. Bonds3

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

N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1-carboxamide (PubChem CID 25284207) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1-carboxamide
PubChem CID25284207
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC NameN-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1-carboxamide
SMILESCc1nnc(-c2ccc(NC(=O)c3cccc4ccccc34)cc2)o1
InChIInChI=1S/C20H15N3O2/c1-13-22-23-20(25-13)15-9-11-16(12-10-15)21-19(24)18-8-4-6-14-5-2-3-7-17(14)18/h2-12H,1H3,(H,21,24)
InChIKeySGYNVMCWWXYHTH-UHFFFAOYSA-N
XLogP4.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1-carboxamide (CID 25284207) is N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1-carboxamide is Cc1nnc(-c2ccc(NC(=O)c3cccc4ccccc34)cc2)o1.
What is the InChIKey of N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1-carboxamide?
The InChIKey is SGYNVMCWWXYHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-13-22-23-20(25-13)15-9-11-16(12-10-15)21-19(24)18-8-4-6-14-5-2-3-7-17(14)18/h2-12H,1H3,(H,21,24).
What are the key properties of N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1-carboxamide?
N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 25284207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).