N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide

C21H22N4O3 — CID 46296149

IUPACN-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCc1nc(-c2ccc(N3CCOCC3)cc2)no1
InChIInChI=1S/C21H22N4O3/c26-19(14-16-4-2-1-3-5-16)22-15-20-23-21(24-28-20)17-6-8-18(9-7-17)25-10-12-27-13-11-25/h1-9H,10-15H2,(H,22,26)
InChIKeySDHVYHRWRHSENV-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.43
Rot. Bonds6

About N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide

N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide (PubChem CID 46296149) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
PubChem CID46296149
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCc1nc(-c2ccc(N3CCOCC3)cc2)no1
InChIInChI=1S/C21H22N4O3/c26-19(14-16-4-2-1-3-5-16)22-15-20-23-21(24-28-20)17-6-8-18(9-7-17)25-10-12-27-13-11-25/h1-9H,10-15H2,(H,22,26)
InChIKeySDHVYHRWRHSENV-UHFFFAOYSA-N
XLogP2.43
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53103239
2-amino-N-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120841607
N-[[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53103259
N-[[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 20933995
methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium
CID 8592773
N-[[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 59643509
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carboxamide
CID 6485256
N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53112589
2-amino-N-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120840366
4-[4-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]morpholine
CID 50769553
3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 71668568
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)acetamide
CID 2997200

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide (CID 46296149) is N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCc1nc(-c2ccc(N3CCOCC3)cc2)no1.
What is the InChIKey of N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide?
The InChIKey is SDHVYHRWRHSENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-19(14-16-4-2-1-3-5-16)22-15-20-23-21(24-28-20)17-6-8-18(9-7-17)25-10-12-27-13-11-25/h1-9H,10-15H2,(H,22,26).
What are the key properties of N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide?
N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide has a molecular weight of 378.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 46296149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).