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

C22H24N4O3 — CID 110391798

IUPAC5-(2-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccccc1-c1nnc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)o1
InChIInChI=1S/C22H24N4O3/c1-15-11-13-26(14-12-15)17-9-7-16(8-10-17)23-20(27)22-25-24-21(29-22)18-5-3-4-6-19(18)28-2/h3-10,15H,11-14H2,1-2H3,(H,23,27)
InChIKeyQKYKRBFYVNTHHK-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.23
Rot. Bonds5

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

5-(2-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391798) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391798
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name5-(2-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccccc1-c1nnc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)o1
InChIInChI=1S/C22H24N4O3/c1-15-11-13-26(14-12-15)17-9-7-16(8-10-17)23-20(27)22-25-24-21(29-22)18-5-3-4-6-19(18)28-2/h3-10,15H,11-14H2,1-2H3,(H,23,27)
InChIKeyQKYKRBFYVNTHHK-UHFFFAOYSA-N
XLogP4.23
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.23
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

5-(2-methoxyphenyl)-N-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391797
5-(2-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391733
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
1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992011
3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 60600910
[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 110391727
5-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391990
methyl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391789
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide
CID 4314408
N-(2-methoxy-5-methylphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391776
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]acetamide
CID 5164964

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide (CID 110391798) is 5-(2-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide is COc1ccccc1-c1nnc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)o1.
What is the InChIKey of 5-(2-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is QKYKRBFYVNTHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-11-13-26(14-12-15)17-9-7-16(8-10-17)23-20(27)22-25-24-21(29-22)18-5-3-4-6-19(18)28-2/h3-10,15H,11-14H2,1-2H3,(H,23,27).
What are the key properties of 5-(2-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide?
5-(2-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).