(3R)-4-[(2,5-dimethoxyphenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine

C16H21N3O4 — CID 97344323

IUPAC(3R)-4-[(2,5-dimethoxyphenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCOc1ccc(OC)c(CN2CCOC[C@H]2c2noc(C)n2)c1
InChIInChI=1S/C16H21N3O4/c1-11-17-16(18-23-11)14-10-22-7-6-19(14)9-12-8-13(20-2)4-5-15(12)21-3/h4-5,8,14H,6-7,9-10H2,1-3H3/t14-/m0/s1
InChIKeyOBHKCKYGTXAMSD-AWEZNQCLSA-N
MW319.36 g/mol
LogP1.97
Rot. Bonds5

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

(3R)-4-[(2,5-dimethoxyphenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine (PubChem CID 97344323) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is (3R)-4-[(2,5-dimethoxyphenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine.

Molecular Properties

Compound Name(3R)-4-[(2,5-dimethoxyphenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
PubChem CID97344323
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name(3R)-4-[(2,5-dimethoxyphenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCOc1ccc(OC)c(CN2CCOC[C@H]2c2noc(C)n2)c1
InChIInChI=1S/C16H21N3O4/c1-11-17-16(18-23-11)14-10-22-7-6-19(14)9-12-8-13(20-2)4-5-15(12)21-3/h4-5,8,14H,6-7,9-10H2,1-3H3/t14-/m0/s1
InChIKeyOBHKCKYGTXAMSD-AWEZNQCLSA-N
XLogP1.97
TPSA69.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-4-[(4-chlorophenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344327
2-(5-methoxy-1H-indol-3-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 139000747
(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylethyl)morpholine
CID 97344608
4-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 130694254
4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylmorpholine
CID 65326745
5-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 92554036
5-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 30986503
[3-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752507
N-(cyclopropylmethyl)-2-[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 97484458
4-[(4-methoxyphenyl)methyl]-3-methylmorpholine
CID 67042011
3-[1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 50809393
4-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 83098389

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(2,5-dimethoxyphenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The IUPAC name of (3R)-4-[(2,5-dimethoxyphenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine (CID 97344323) is (3R)-4-[(2,5-dimethoxyphenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine.
What is the SMILES notation for (3R)-4-[(2,5-dimethoxyphenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The canonical SMILES for (3R)-4-[(2,5-dimethoxyphenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine is COc1ccc(OC)c(CN2CCOC[C@H]2c2noc(C)n2)c1.
What is the InChIKey of (3R)-4-[(2,5-dimethoxyphenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The InChIKey is OBHKCKYGTXAMSD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-11-17-16(18-23-11)14-10-22-7-6-19(14)9-12-8-13(20-2)4-5-15(12)21-3/h4-5,8,14H,6-7,9-10H2,1-3H3/t14-/m0/s1.
What are the key properties of (3R)-4-[(2,5-dimethoxyphenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
(3R)-4-[(2,5-dimethoxyphenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine has a molecular weight of 319.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(2,5-dimethoxyphenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine is sourced from PubChem (CID 97344323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).