N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide

C18H18N4O3 — CID 110391988

IUPACN-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1cccc(-c2nnc(C(=O)Nc3ccc(N(C)C)cc3)o2)c1
InChIInChI=1S/C18H18N4O3/c1-22(2)14-9-7-13(8-10-14)19-16(23)18-21-20-17(25-18)12-5-4-6-15(11-12)24-3/h4-11H,1-3H3,(H,19,23)
InChIKeyUMVHHINOMOHBDU-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.06
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide

N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391988) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391988
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1cccc(-c2nnc(C(=O)Nc3ccc(N(C)C)cc3)o2)c1
InChIInChI=1S/C18H18N4O3/c1-22(2)14-9-7-13(8-10-14)19-16(23)18-21-20-17(25-18)12-5-4-6-15(11-12)24-3/h4-11H,1-3H3,(H,19,23)
InChIKeyUMVHHINOMOHBDU-UHFFFAOYSA-N
XLogP3.06
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391980
N-(4-cyanophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392024
5-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391990
5-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391928
methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619027
5-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazole-2-carboxamide
CID 110392029
N-(2-bromophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391997
N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336418
1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050069
N-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392173
N-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392549
5-(3-fluorophenyl)-N-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392539

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110391988) is N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is COc1cccc(-c2nnc(C(=O)Nc3ccc(N(C)C)cc3)o2)c1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is UMVHHINOMOHBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-22(2)14-9-7-13(8-10-14)19-16(23)18-21-20-17(25-18)12-5-4-6-15(11-12)24-3/h4-11H,1-3H3,(H,19,23).
What are the key properties of N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).