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

C18H25N3O3 — CID 56870012

IUPAC2-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
SMILESCOc1cccc(CC2CN(Cc3nc(C(C)C)no3)CCO2)c1
InChIInChI=1S/C18H25N3O3/c1-13(2)18-19-17(24-20-18)12-21-7-8-23-16(11-21)10-14-5-4-6-15(9-14)22-3/h4-6,9,13,16H,7-8,10-12H2,1-3H3
InChIKeyHBUIORVBTIJJIQ-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.65
Rot. Bonds6

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

2-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine (PubChem CID 56870012) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
PubChem CID56870012
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
SMILESCOc1cccc(CC2CN(Cc3nc(C(C)C)no3)CCO2)c1
InChIInChI=1S/C18H25N3O3/c1-13(2)18-19-17(24-20-18)12-21-7-8-23-16(11-21)10-14-5-4-6-15(9-14)22-3/h4-6,9,13,16H,7-8,10-12H2,1-3H3
InChIKeyHBUIORVBTIJJIQ-UHFFFAOYSA-N
XLogP2.65
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 95525046
2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine
CID 45237658
5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole
CID 45232008
4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine
CID 56873494
2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid
CID 102604207
2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine
CID 81213549
4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine
CID 56867304
4-(2,6-dimethoxypyrimidin-4-yl)-2-[(3-methoxyphenyl)methyl]morpholine
CID 45197477
(2R)-2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine
CID 29257197
2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine
CID 45205929
5-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133464962
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine (CID 56870012) is 2-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine is COc1cccc(CC2CN(Cc3nc(C(C)C)no3)CCO2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
The InChIKey is HBUIORVBTIJJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13(2)18-19-17(24-20-18)12-21-7-8-23-16(11-21)10-14-5-4-6-15(9-14)22-3/h4-6,9,13,16H,7-8,10-12H2,1-3H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
2-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine has a molecular weight of 331.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine is sourced from PubChem (CID 56870012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).