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

C18H17N3O4 — CID 110391776

IUPACN-(2-methoxy-5-methylphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1nnc(-c2ccccc2OC)o1
InChIInChI=1S/C18H17N3O4/c1-11-8-9-15(24-3)13(10-11)19-16(22)18-21-20-17(25-18)12-6-4-5-7-14(12)23-2/h4-10H,1-3H3,(H,19,22)
InChIKeyWPAKEXYCHNCEHY-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.31
Rot. Bonds5

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

N-(2-methoxy-5-methylphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391776) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391776
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-(2-methoxy-5-methylphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1nnc(-c2ccccc2OC)o1
InChIInChI=1S/C18H17N3O4/c1-11-8-9-15(24-3)13(10-11)19-16(22)18-21-20-17(25-18)12-6-4-5-7-14(12)23-2/h4-10H,1-3H3,(H,19,22)
InChIKeyWPAKEXYCHNCEHY-UHFFFAOYSA-N
XLogP3.31
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391768
5-(2-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391733
methyl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391789
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
2-methoxy-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylaniline
CID 110652671
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391702
(2R)-N-(2-methoxy-5-methylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889753
N-benzyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391670
2-methoxy-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3367763
5-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391599
N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391649

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110391776) is N-(2-methoxy-5-methylphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is COc1ccc(C)cc1NC(=O)c1nnc(-c2ccccc2OC)o1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is WPAKEXYCHNCEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-11-8-9-15(24-3)13(10-11)19-16(22)18-21-20-17(25-18)12-6-4-5-7-14(12)23-2/h4-10H,1-3H3,(H,19,22).
What are the key properties of N-(2-methoxy-5-methylphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
N-(2-methoxy-5-methylphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).