4-[(3-methoxyphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine

C20H21N3O3 — CID 46956717

IUPAC4-[(3-methoxyphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESCOc1cccc(CN2CCOC(c3nc(-c4ccccc4)no3)C2)c1
InChIInChI=1S/C20H21N3O3/c1-24-17-9-5-6-15(12-17)13-23-10-11-25-18(14-23)20-21-19(22-26-20)16-7-3-2-4-8-16/h2-9,12,18H,10-11,13-14H2,1H3
InChIKeyMJARJWSNEFCKGZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.32
Rot. Bonds5

About 4-[(3-methoxyphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine

4-[(3-methoxyphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine (PubChem CID 46956717) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
PubChem CID46956717
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-[(3-methoxyphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESCOc1cccc(CN2CCOC(c3nc(-c4ccccc4)no3)C2)c1
InChIInChI=1S/C20H21N3O3/c1-24-17-9-5-6-15(12-17)13-23-10-11-25-18(14-23)20-21-19(22-26-20)16-7-3-2-4-8-16/h2-9,12,18H,10-11,13-14H2,1H3
InChIKeyMJARJWSNEFCKGZ-UHFFFAOYSA-N
XLogP3.32
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-ylmethyl)morpholine
CID 92575825
(2S)-4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 92575817
4-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 46956712
2-(1,3-dihydroisoindol-2-yl)-1-[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 92600444
2-(1,3-dihydroisoindol-2-yl)-1-[(2S)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 92600443
3-(3-methoxyphenyl)-5-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 95829995
2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine
CID 81213549
(2S)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-(2-pyridin-4-ylethylsulfonyl)morpholine
CID 92600457
3-(3-methoxyphenyl)-5-[1-(2-phenoxyethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 110259408
3-(3-methoxyphenyl)-5-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 110259393
[2-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]quinolin-4-yl]-morpholin-4-ylmethanone
CID 92638405
2-methoxy-5-[[2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]phenol
CID 75474380

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The IUPAC name of 4-[(3-methoxyphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine (CID 46956717) is 4-[(3-methoxyphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine.
What is the SMILES notation for 4-[(3-methoxyphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The canonical SMILES for 4-[(3-methoxyphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine is COc1cccc(CN2CCOC(c3nc(-c4ccccc4)no3)C2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The InChIKey is MJARJWSNEFCKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-24-17-9-5-6-15(12-17)13-23-10-11-25-18(14-23)20-21-19(22-26-20)16-7-3-2-4-8-16/h2-9,12,18H,10-11,13-14H2,1H3.
What are the key properties of 4-[(3-methoxyphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
4-[(3-methoxyphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine has a molecular weight of 351.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine is sourced from PubChem (CID 46956717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).