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

C17H23N3O2 — CID 97320099

IUPAC(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[3-(2-methylphenyl)propyl]morpholine
SMILESCc1nc([C@H]2CN(CCCc3ccccc3C)CCO2)no1
InChIInChI=1S/C17H23N3O2/c1-13-6-3-4-7-15(13)8-5-9-20-10-11-21-16(12-20)17-18-14(2)22-19-17/h3-4,6-7,16H,5,8-12H2,1-2H3/t16-/m1/s1
InChIKeyVDXRCRXRHZEETM-MRXNPFEDSA-N
MW301.39 g/mol
LogP2.69
Rot. Bonds5

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

(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[3-(2-methylphenyl)propyl]morpholine (PubChem CID 97320099) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[3-(2-methylphenyl)propyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[3-(2-methylphenyl)propyl]morpholine
PubChem CID97320099
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[3-(2-methylphenyl)propyl]morpholine
SMILESCc1nc([C@H]2CN(CCCc3ccccc3C)CCO2)no1
InChIInChI=1S/C17H23N3O2/c1-13-6-3-4-7-15(13)8-5-9-20-10-11-21-16(12-20)17-18-14(2)22-19-17/h3-4,6-7,16H,5,8-12H2,1-2H3/t16-/m1/s1
InChIKeyVDXRCRXRHZEETM-MRXNPFEDSA-N
XLogP2.69
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[2-(2-methylphenoxy)ethyl]morpholine
CID 97316172
4-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 75480253
2-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-4-[(2-methylphenyl)methyl]morpholine
CID 136557347
2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine
CID 75482031
(2S)-4-[2-(3-chlorophenoxy)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316174
(2R)-4-(cyclopentylmethyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316183
(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316136
(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
CID 97316076
(2R)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316109
2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)morpholine
CID 138052975
4-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]butanenitrile
CID 97344593
3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79657503

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[3-(2-methylphenyl)propyl]morpholine?
The IUPAC name of (2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[3-(2-methylphenyl)propyl]morpholine (CID 97320099) is (2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[3-(2-methylphenyl)propyl]morpholine.
What is the SMILES notation for (2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[3-(2-methylphenyl)propyl]morpholine?
The canonical SMILES for (2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[3-(2-methylphenyl)propyl]morpholine is Cc1nc([C@H]2CN(CCCc3ccccc3C)CCO2)no1.
What is the InChIKey of (2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[3-(2-methylphenyl)propyl]morpholine?
The InChIKey is VDXRCRXRHZEETM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-6-3-4-7-15(13)8-5-9-20-10-11-21-16(12-20)17-18-14(2)22-19-17/h3-4,6-7,16H,5,8-12H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[3-(2-methylphenyl)propyl]morpholine?
(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[3-(2-methylphenyl)propyl]morpholine has a molecular weight of 301.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[3-(2-methylphenyl)propyl]morpholine is sourced from PubChem (CID 97320099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).