[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone

C16H19N3O3 — CID 110391727

IUPAC[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccccc1-c1nnc(C(=O)N2CCCC(C)C2)o1
InChIInChI=1S/C16H19N3O3/c1-11-6-5-9-19(10-11)16(20)15-18-17-14(22-15)12-7-3-4-8-13(12)21-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyABPJKQAKVJYRNP-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.62
Rot. Bonds3

About [5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone

[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 110391727) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is [5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID110391727
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccccc1-c1nnc(C(=O)N2CCCC(C)C2)o1
InChIInChI=1S/C16H19N3O3/c1-11-6-5-9-19(10-11)16(20)15-18-17-14(22-15)12-7-3-4-8-13(12)21-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyABPJKQAKVJYRNP-UHFFFAOYSA-N
XLogP2.62
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 110392676
(2-ethylpiperidin-1-yl)-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 110391726
5-(2-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391798
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 866853
(3,4-dimethoxyphenyl)-[(3R)-3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 95094815
N-(2-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048994
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-piperidin-1-ylethanone
CID 5207611
5-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391661
[4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone
CID 32972236
[5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 18105311
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

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone (CID 110391727) is [5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone is COc1ccccc1-c1nnc(C(=O)N2CCCC(C)C2)o1.
What is the InChIKey of [5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is ABPJKQAKVJYRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-6-5-9-19(10-11)16(20)15-18-17-14(22-15)12-7-3-4-8-13(12)21-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3.
What are the key properties of [5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone?
[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 301.35 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110391727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).