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

C19H19N3O4 — CID 91784694

IUPACN-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxybenzamide
SMILESCOCc1noc(CCNC(=O)c2cccc(Oc3ccccc3)c2)n1
InChIInChI=1S/C19H19N3O4/c1-24-13-17-21-18(26-22-17)10-11-20-19(23)14-6-5-9-16(12-14)25-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H,20,23)
InChIKeyDPTWKGPUVKMBTO-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.98
Rot. Bonds8

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

N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxybenzamide (PubChem CID 91784694) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxybenzamide
PubChem CID91784694
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxybenzamide
SMILESCOCc1noc(CCNC(=O)c2cccc(Oc3ccccc3)c2)n1
InChIInChI=1S/C19H19N3O4/c1-24-13-17-21-18(26-22-17)10-11-20-19(23)14-6-5-9-16(12-14)25-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H,20,23)
InChIKeyDPTWKGPUVKMBTO-UHFFFAOYSA-N
XLogP2.98
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-methylbenzamide
CID 91917634
4-fluoro-3-methoxy-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 91796620
3-methoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 110293645
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 90652660
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 146126326
2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 91917633
methyl 7-[(3-phenoxybenzoyl)amino]heptanoate
CID 36622065
methyl 6-[(3-phenoxybenzoyl)amino]hexanoate
CID 31839416
N-[2-(diethylamino)ethyl]-3-phenoxybenzamide
CID 12941795
3-fluoro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323620
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide
CID 110323931
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 91794913

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxybenzamide?
The IUPAC name of N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxybenzamide (CID 91784694) is N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxybenzamide.
What is the SMILES notation for N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxybenzamide?
The canonical SMILES for N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxybenzamide is COCc1noc(CCNC(=O)c2cccc(Oc3ccccc3)c2)n1.
What is the InChIKey of N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxybenzamide?
The InChIKey is DPTWKGPUVKMBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-24-13-17-21-18(26-22-17)10-11-20-19(23)14-6-5-9-16(12-14)25-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H,20,23).
What are the key properties of N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxybenzamide?
N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxybenzamide has a molecular weight of 353.38 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxybenzamide is sourced from PubChem (CID 91784694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).