4-[(2-chloro-6-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine

C20H20ClN3O3 — CID 126799625

IUPAC4-[(2-chloro-6-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESCOc1cccc(Cl)c1CN1CCOCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C20H20ClN3O3/c1-25-18-9-5-8-16(21)15(18)12-24-10-11-26-13-17(24)20-22-19(23-27-20)14-6-3-2-4-7-14/h2-9,17H,10-13H2,1H3
InChIKeyNJZQGAXQJFKUMS-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.97
Rot. Bonds5

About 4-[(2-chloro-6-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine

4-[(2-chloro-6-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine (PubChem CID 126799625) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 4-[(2-chloro-6-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine.

Molecular Properties

Compound Name4-[(2-chloro-6-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
PubChem CID126799625
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name4-[(2-chloro-6-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESCOc1cccc(Cl)c1CN1CCOCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C20H20ClN3O3/c1-25-18-9-5-8-16(21)15(18)12-24-10-11-26-13-17(24)20-22-19(23-27-20)14-6-3-2-4-7-14/h2-9,17H,10-13H2,1H3
InChIKeyNJZQGAXQJFKUMS-UHFFFAOYSA-N
XLogP3.97
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-methyl-1H-pyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 154741352
2-[[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile
CID 125141312
5-methoxy-2-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyran-4-one
CID 70764552
ethyl 5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]pentanoate
CID 129009308
3-[5-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]-1,2,4-oxadiazol-3-yl]benzonitrile
CID 129385924
(3R)-4-[(2,6-dimethoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine
CID 124996316
5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-3-ol
CID 74506554
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]morpholine
CID 99825862
2-(3-chloro-4-methoxyphenyl)-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 91916617
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-(4-phenylphenyl)ethanone
CID 119037918
(3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 97345982
[4-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120892545

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The IUPAC name of 4-[(2-chloro-6-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine (CID 126799625) is 4-[(2-chloro-6-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine.
What is the SMILES notation for 4-[(2-chloro-6-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The canonical SMILES for 4-[(2-chloro-6-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine is COc1cccc(Cl)c1CN1CCOCC1c1nc(-c2ccccc2)no1.
What is the InChIKey of 4-[(2-chloro-6-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The InChIKey is NJZQGAXQJFKUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-25-18-9-5-8-16(21)15(18)12-24-10-11-26-13-17(24)20-22-19(23-27-20)14-6-3-2-4-7-14/h2-9,17H,10-13H2,1H3.
What are the key properties of 4-[(2-chloro-6-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
4-[(2-chloro-6-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine has a molecular weight of 385.85 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine is sourced from PubChem (CID 126799625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).