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

C22H19N5O4 — CID 50754879

IUPAC4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESO=C(NCc1noc(COc2ccccc2)n1)c1ccc(-c2noc(C3CC3)n2)cc1
InChIInChI=1S/C22H19N5O4/c28-21(15-8-6-14(7-9-15)20-25-22(31-27-20)16-10-11-16)23-12-18-24-19(30-26-18)13-29-17-4-2-1-3-5-17/h1-9,16H,10-13H2,(H,23,28)
InChIKeyCHIMSUNURVDWDW-UHFFFAOYSA-N
MW417.43 g/mol
LogP3.51
Rot. Bonds8

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

4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide (PubChem CID 50754879) has the molecular formula C22H19N5O4 and a molecular weight of 417.43 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
PubChem CID50754879
Molecular FormulaC22H19N5O4
Molecular Weight417.43 g/mol
Exact Mass417.14
IUPAC Name4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESO=C(NCc1noc(COc2ccccc2)n1)c1ccc(-c2noc(C3CC3)n2)cc1
InChIInChI=1S/C22H19N5O4/c28-21(15-8-6-14(7-9-15)20-25-22(31-27-20)16-10-11-16)23-12-18-24-19(30-26-18)13-29-17-4-2-1-3-5-17/h1-9,16H,10-13H2,(H,23,28)
InChIKeyCHIMSUNURVDWDW-UHFFFAOYSA-N
XLogP3.51
TPSA116.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 50767461
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 53032993
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-[4-(1-hydroxypropyl)phenyl]benzamide
CID 121498861
(2R)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylbutanamide
CID 95062352
(2S)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 92903063
N-[2-(cyclooctylamino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46323993
4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 121094244
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 56706456
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 125164487
N-ethyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide
CID 68687065
N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53112573
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 5042134

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The IUPAC name of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide (CID 50754879) is 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide.
What is the SMILES notation for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The canonical SMILES for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide is O=C(NCc1noc(COc2ccccc2)n1)c1ccc(-c2noc(C3CC3)n2)cc1.
What is the InChIKey of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The InChIKey is CHIMSUNURVDWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O4/c28-21(15-8-6-14(7-9-15)20-25-22(31-27-20)16-10-11-16)23-12-18-24-19(30-26-18)13-29-17-4-2-1-3-5-17/h1-9,16H,10-13H2,(H,23,28).
What are the key properties of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide has a molecular weight of 417.43 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide is sourced from PubChem (CID 50754879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).