4-[2-methoxy-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine

C17H21N3O4 — CID 97435460

IUPAC4-[2-methoxy-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine
SMILESCOc1ccc(-c2nc([C@@H]3CCOC3)no2)cc1N1CCOCC1
InChIInChI=1S/C17H21N3O4/c1-21-15-3-2-12(10-14(15)20-5-8-22-9-6-20)17-18-16(19-24-17)13-4-7-23-11-13/h2-3,10,13H,4-9,11H2,1H3/t13-/m1/s1
InChIKeySBUPZKSGSIIIGA-CYBMUJFWSA-N
MW331.37 g/mol
LogP2.09
Rot. Bonds4

About 4-[2-methoxy-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine

4-[2-methoxy-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine (PubChem CID 97435460) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-[2-methoxy-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[2-methoxy-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine
PubChem CID97435460
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name4-[2-methoxy-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine
SMILESCOc1ccc(-c2nc([C@@H]3CCOC3)no2)cc1N1CCOCC1
InChIInChI=1S/C17H21N3O4/c1-21-15-3-2-12(10-14(15)20-5-8-22-9-6-20)17-18-16(19-24-17)13-4-7-23-11-13/h2-3,10,13H,4-9,11H2,1H3/t13-/m1/s1
InChIKeySBUPZKSGSIIIGA-CYBMUJFWSA-N
XLogP2.09
TPSA69.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-methoxy-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine with MolForge

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Related Compounds

2-methoxy-5-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 97160932
5-(4-fluoro-3-methoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911954
3-[(3R)-oxolan-3-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 97444955
5-[1-(2-methoxyphenyl)pyrazol-4-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97446142
3-[(3R)-oxolan-3-yl]-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 97455442
5-(4-methoxy-3,5-dimethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97436599
5-(2,4-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72863065
3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 97436994
5-(2,3-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911925
5-(1H-indol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97455316
5-(2-methyl-1,3-benzothiazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97444499
2-bromo-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813760

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine?
The IUPAC name of 4-[2-methoxy-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine (CID 97435460) is 4-[2-methoxy-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine.
What is the SMILES notation for 4-[2-methoxy-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine?
The canonical SMILES for 4-[2-methoxy-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine is COc1ccc(-c2nc([C@@H]3CCOC3)no2)cc1N1CCOCC1.
What is the InChIKey of 4-[2-methoxy-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine?
The InChIKey is SBUPZKSGSIIIGA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-21-15-3-2-12(10-14(15)20-5-8-22-9-6-20)17-18-16(19-24-17)13-4-7-23-11-13/h2-3,10,13H,4-9,11H2,1H3/t13-/m1/s1.
What are the key properties of 4-[2-methoxy-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine?
4-[2-methoxy-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine has a molecular weight of 331.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine is sourced from PubChem (CID 97435460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).