N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-methylbenzamide

C14H17N3O3 — CID 91917634

IUPACN-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-methylbenzamide
SMILESCOCc1nc(CCNC(=O)c2cccc(C)c2)no1
InChIInChI=1S/C14H17N3O3/c1-10-4-3-5-11(8-10)14(18)15-7-6-12-16-13(9-19-2)20-17-12/h3-5,8H,6-7,9H2,1-2H3,(H,15,18)
InChIKeyZLUCPFKNQUDXGK-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.50
Rot. Bonds6

About N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-methylbenzamide

N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-methylbenzamide (PubChem CID 91917634) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-methylbenzamide
PubChem CID91917634
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-methylbenzamide
SMILESCOCc1nc(CCNC(=O)c2cccc(C)c2)no1
InChIInChI=1S/C14H17N3O3/c1-10-4-3-5-11(8-10)14(18)15-7-6-12-16-13(9-19-2)20-17-12/h3-5,8H,6-7,9H2,1-2H3,(H,15,18)
InChIKeyZLUCPFKNQUDXGK-UHFFFAOYSA-N
XLogP1.50
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbenzamide
CID 110294289
N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxybenzamide
CID 91784694
2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 91917633
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide
CID 110323931
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbenzamide
CID 110422781
4-fluoro-3-methoxy-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 91796620
(3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3-methylbenzoyl)amino]benzoate
CID 55533338
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853
3-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 6459787
4-methyl-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323732
3-(3-hydroxy-3-methylbutyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 70763675
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide
CID 110314788

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-methylbenzamide (CID 91917634) is N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-methylbenzamide is COCc1nc(CCNC(=O)c2cccc(C)c2)no1.
What is the InChIKey of N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-methylbenzamide?
The InChIKey is ZLUCPFKNQUDXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10-4-3-5-11(8-10)14(18)15-7-6-12-16-13(9-19-2)20-17-12/h3-5,8H,6-7,9H2,1-2H3,(H,15,18).
What are the key properties of N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-methylbenzamide?
N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-methylbenzamide has a molecular weight of 275.31 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-methylbenzamide is sourced from PubChem (CID 91917634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).