N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[(2R)-oxan-2-yl]methyl]propan-2-amine

C19H27N3O3 — CID 97157305

IUPACN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[(2R)-oxan-2-yl]methyl]propan-2-amine
SMILESCOc1ccc(-c2noc(CN(C[C@H]3CCCCO3)C(C)C)n2)cc1
InChIInChI=1S/C19H27N3O3/c1-14(2)22(12-17-6-4-5-11-24-17)13-18-20-19(21-25-18)15-7-9-16(23-3)10-8-15/h7-10,14,17H,4-6,11-13H2,1-3H3/t17-/m1/s1
InChIKeyXNHJIOQUQXASNZ-QGZVFWFLSA-N
MW345.44 g/mol
LogP3.52
Rot. Bonds7

About N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[(2R)-oxan-2-yl]methyl]propan-2-amine

N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[(2R)-oxan-2-yl]methyl]propan-2-amine (PubChem CID 97157305) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[(2R)-oxan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[(2R)-oxan-2-yl]methyl]propan-2-amine
PubChem CID97157305
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[(2R)-oxan-2-yl]methyl]propan-2-amine
SMILESCOc1ccc(-c2noc(CN(C[C@H]3CCCCO3)C(C)C)n2)cc1
InChIInChI=1S/C19H27N3O3/c1-14(2)22(12-17-6-4-5-11-24-17)13-18-20-19(21-25-18)15-7-9-16(23-3)10-8-15/h7-10,14,17H,4-6,11-13H2,1-3H3/t17-/m1/s1
InChIKeyXNHJIOQUQXASNZ-QGZVFWFLSA-N
XLogP3.52
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 119948139
4-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
CID 2997308
5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 888719
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-[(2R)-oxan-2-yl]methanamine
CID 95761789
2,2,2-trichloro-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylacetamide
CID 2991324
N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanecarboxamide
CID 6464149
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidin-3-amine
CID 63301628
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxy-N-propan-2-ylbenzamide
CID 2990719
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 7419913
N-(2-methoxyethyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 42376741
1-cyclopropyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63345772
N-[(4-methoxyphenyl)methyl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 92595723

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[(2R)-oxan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[(2R)-oxan-2-yl]methyl]propan-2-amine (CID 97157305) is N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[(2R)-oxan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[(2R)-oxan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[(2R)-oxan-2-yl]methyl]propan-2-amine is COc1ccc(-c2noc(CN(C[C@H]3CCCCO3)C(C)C)n2)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[(2R)-oxan-2-yl]methyl]propan-2-amine?
The InChIKey is XNHJIOQUQXASNZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(2)22(12-17-6-4-5-11-24-17)13-18-20-19(21-25-18)15-7-9-16(23-3)10-8-15/h7-10,14,17H,4-6,11-13H2,1-3H3/t17-/m1/s1.
What are the key properties of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[(2R)-oxan-2-yl]methyl]propan-2-amine?
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[(2R)-oxan-2-yl]methyl]propan-2-amine has a molecular weight of 345.44 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[(2R)-oxan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 97157305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).