N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine

C16H22N4O3 — CID 95758011

IUPACN-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
SMILESCOc1ccc(-c2nc(CNC[C@@H]3CN(C)CCO3)no2)cc1
InChIInChI=1S/C16H22N4O3/c1-20-7-8-22-14(11-20)9-17-10-15-18-16(23-19-15)12-3-5-13(21-2)6-4-12/h3-6,14,17H,7-11H2,1-2H3/t14-/m1/s1
InChIKeyWUNZDIQGSVBNFZ-CQSZACIVSA-N
MW318.38 g/mol
LogP1.17
Rot. Bonds6

About N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine

N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine (PubChem CID 95758011) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
PubChem CID95758011
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
SMILESCOc1ccc(-c2nc(CNC[C@@H]3CN(C)CCO3)no2)cc1
InChIInChI=1S/C16H22N4O3/c1-20-7-8-22-14(11-20)9-17-10-15-18-16(23-19-15)12-3-5-13(21-2)6-4-12/h3-6,14,17H,7-11H2,1-2H3/t14-/m1/s1
InChIKeyWUNZDIQGSVBNFZ-CQSZACIVSA-N
XLogP1.17
TPSA72.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
The IUPAC name of N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine (CID 95758011) is N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine.
What is the SMILES notation for N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
The canonical SMILES for N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine is COc1ccc(-c2nc(CNC[C@@H]3CN(C)CCO3)no2)cc1.
What is the InChIKey of N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
The InChIKey is WUNZDIQGSVBNFZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-20-7-8-22-14(11-20)9-17-10-15-18-16(23-19-15)12-3-5-13(21-2)6-4-12/h3-6,14,17H,7-11H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine has a molecular weight of 318.38 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine is sourced from PubChem (CID 95758011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).