N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide

C22H17N3O3 — CID 30329032

IUPACN-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nc(COc2ccccc2)no1)c1ccccc1
InChIInChI=1S/C22H17N3O3/c26-21(16-9-3-1-4-10-16)23-19-14-8-7-13-18(19)22-24-20(25-28-22)15-27-17-11-5-2-6-12-17/h1-14H,15H2,(H,23,26)
InChIKeyBTXZQSHCUWJJMI-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.57
Rot. Bonds6

About N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide

N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide (PubChem CID 30329032) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
PubChem CID30329032
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC NameN-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nc(COc2ccccc2)no1)c1ccccc1
InChIInChI=1S/C22H17N3O3/c26-21(16-9-3-1-4-10-16)23-19-14-8-7-13-18(19)22-24-20(25-28-22)15-27-17-11-5-2-6-12-17/h1-14H,15H2,(H,23,26)
InChIKeyBTXZQSHCUWJJMI-UHFFFAOYSA-N
XLogP4.57
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 30329541
2,2,2-trichloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30334549
N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62715487
4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]pentanamide
CID 30333454
2-(4-methoxyphenoxy)-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331884
N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide
CID 30333388
2-chloro-4-nitro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 30330377
4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide
CID 30332754
2-phenoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4896404
3-butoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330712
4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329289
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide
CID 30332842

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The IUPAC name of N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide (CID 30329032) is N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide.
What is the SMILES notation for N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The canonical SMILES for N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide is O=C(Nc1ccccc1-c1nc(COc2ccccc2)no1)c1ccccc1.
What is the InChIKey of N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The InChIKey is BTXZQSHCUWJJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c26-21(16-9-3-1-4-10-16)23-19-14-8-7-13-18(19)22-24-20(25-28-22)15-27-17-11-5-2-6-12-17/h1-14H,15H2,(H,23,26).
What are the key properties of N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide has a molecular weight of 371.40 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 30329032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).