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

C16H13N3O3 — CID 110391733

IUPAC5-(2-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccccc1-c1nnc(C(=O)Nc2ccccc2)o1
InChIInChI=1S/C16H13N3O3/c1-21-13-10-6-5-9-12(13)15-18-19-16(22-15)14(20)17-11-7-3-2-4-8-11/h2-10H,1H3,(H,17,20)
InChIKeyQHHSMDUDLSBSNZ-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.00
Rot. Bonds4

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

5-(2-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391733) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391733
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name5-(2-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccccc1-c1nnc(C(=O)Nc2ccccc2)o1
InChIInChI=1S/C16H13N3O3/c1-21-13-10-6-5-9-12(13)15-18-19-16(22-15)14(20)17-11-7-3-2-4-8-11/h2-10H,1H3,(H,17,20)
InChIKeyQHHSMDUDLSBSNZ-UHFFFAOYSA-N
XLogP3.00
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391757
methyl 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391791
5-(2-methoxyphenyl)-N-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391797
methyl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391789
N-benzyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391670
5-(2-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391798
N-(2-methoxy-5-methylphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391776
N-(5-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391768
N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391649
5-(2-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391659
5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391121
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391702

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide (CID 110391733) is 5-(2-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide is COc1ccccc1-c1nnc(C(=O)Nc2ccccc2)o1.
What is the InChIKey of 5-(2-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is QHHSMDUDLSBSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-21-13-10-6-5-9-12(13)15-18-19-16(22-15)14(20)17-11-7-3-2-4-8-11/h2-10H,1H3,(H,17,20).
What are the key properties of 5-(2-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide?
5-(2-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).