3-(methoxymethyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide

C17H16N4O3 — CID 134042967

IUPAC3-(methoxymethyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCOCc1cccc(C(=O)NCc2nc(-c3ccncc3)no2)c1
InChIInChI=1S/C17H16N4O3/c1-23-11-12-3-2-4-14(9-12)17(22)19-10-15-20-16(21-24-15)13-5-7-18-8-6-13/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyDUUDOUHQPSHWLC-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.21
Rot. Bonds6

About 3-(methoxymethyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide

3-(methoxymethyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide (PubChem CID 134042967) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
PubChem CID134042967
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name3-(methoxymethyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCOCc1cccc(C(=O)NCc2nc(-c3ccncc3)no2)c1
InChIInChI=1S/C17H16N4O3/c1-23-11-12-3-2-4-14(9-12)17(22)19-10-15-20-16(21-24-15)13-5-7-18-8-6-13/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyDUUDOUHQPSHWLC-UHFFFAOYSA-N
XLogP2.21
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxyphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 134051001
4-methylsulfanyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 78839044
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid
CID 69190964
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-cyanophenoxy)methyl]benzamide
CID 86957972
tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 56770463
6-(dimethylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 78861696
N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 170951274
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(methylsulfamoyl)benzamide
CID 100623554
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide
CID 7603190
N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39157817
N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 142337904

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The IUPAC name of 3-(methoxymethyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide (CID 134042967) is 3-(methoxymethyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-(methoxymethyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide is COCc1cccc(C(=O)NCc2nc(-c3ccncc3)no2)c1.
What is the InChIKey of 3-(methoxymethyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The InChIKey is DUUDOUHQPSHWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-23-11-12-3-2-4-14(9-12)17(22)19-10-15-20-16(21-24-15)13-5-7-18-8-6-13/h2-9H,10-11H2,1H3,(H,19,22).
What are the key properties of 3-(methoxymethyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
3-(methoxymethyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide has a molecular weight of 324.34 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 134042967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).