2-[3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide

C18H17ClN4O3 — CID 156907061

IUPAC2-[3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide
SMILESCc1noc(COc2cc(Cl)cc(CC(=O)Nc3cnccc3C)c2)n1
InChIInChI=1S/C18H17ClN4O3/c1-11-3-4-20-9-16(11)22-17(24)7-13-5-14(19)8-15(6-13)25-10-18-21-12(2)23-26-18/h3-6,8-9H,7,10H2,1-2H3,(H,22,24)
InChIKeyISRHBBIYTNRSMM-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.50
Rot. Bonds6

About 2-[3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide

2-[3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide (PubChem CID 156907061) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is 2-[3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide
PubChem CID156907061
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name2-[3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide
SMILESCc1noc(COc2cc(Cl)cc(CC(=O)Nc3cnccc3C)c2)n1
InChIInChI=1S/C18H17ClN4O3/c1-11-3-4-20-9-16(11)22-17(24)7-13-5-14(19)8-15(6-13)25-10-18-21-12(2)23-26-18/h3-6,8-9H,7,10H2,1-2H3,(H,22,24)
InChIKeyISRHBBIYTNRSMM-UHFFFAOYSA-N
XLogP3.50
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
The IUPAC name of 2-[3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide (CID 156907061) is 2-[3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-[3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide is Cc1noc(COc2cc(Cl)cc(CC(=O)Nc3cnccc3C)c2)n1.
What is the InChIKey of 2-[3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
The InChIKey is ISRHBBIYTNRSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-11-3-4-20-9-16(11)22-17(24)7-13-5-14(19)8-15(6-13)25-10-18-21-12(2)23-26-18/h3-6,8-9H,7,10H2,1-2H3,(H,22,24).
What are the key properties of 2-[3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
2-[3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide has a molecular weight of 372.81 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 156907061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).