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

C18H25N3O3 — CID 95525046

IUPAC(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine
SMILESCOc1cccc(C[C@H]2CN(Cc3nnc(C(C)C)o3)CCO2)c1
InChIInChI=1S/C18H25N3O3/c1-13(2)18-20-19-17(24-18)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/t16-/m0/s1
InChIKeyIWMAJHVGUZSTAW-INIZCTEOSA-N
MW331.42 g/mol
LogP2.65
Rot. Bonds6

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

(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine (PubChem CID 95525046) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine
PubChem CID95525046
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine
SMILESCOc1cccc(C[C@H]2CN(Cc3nnc(C(C)C)o3)CCO2)c1
InChIInChI=1S/C18H25N3O3/c1-13(2)18-20-19-17(24-18)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/t16-/m0/s1
InChIKeyIWMAJHVGUZSTAW-INIZCTEOSA-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

2-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 56870012
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
N,N-dimethyl-1-[(2S)-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methanamine
CID 95332231
4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine
CID 56867304
(2R)-2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine
CID 29257197
2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine
CID 45205929
N-[[(2R)-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512611
(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine
CID 95550670

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
The IUPAC name of (2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine (CID 95525046) is (2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine is COc1cccc(C[C@H]2CN(Cc3nnc(C(C)C)o3)CCO2)c1.
What is the InChIKey of (2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
The InChIKey is IWMAJHVGUZSTAW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13(2)18-20-19-17(24-18)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/t16-/m0/s1.
What are the key properties of (2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-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 (2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine is sourced from PubChem (CID 95525046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).