1-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine

C15H21N3O2 — CID 104634676

IUPAC1-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
SMILESCc1cccc(Cc2nc(C(N)COC(C)C)no2)c1
InChIInChI=1S/C15H21N3O2/c1-10(2)19-9-13(16)15-17-14(20-18-15)8-12-6-4-5-11(3)7-12/h4-7,10,13H,8-9,16H2,1-3H3
InChIKeyRLCZQEPFWFKJAR-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.39
Rot. Bonds6

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

1-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine (PubChem CID 104634676) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
PubChem CID104634676
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
SMILESCc1cccc(Cc2nc(C(N)COC(C)C)no2)c1
InChIInChI=1S/C15H21N3O2/c1-10(2)19-9-13(16)15-17-14(20-18-15)8-12-6-4-5-11(3)7-12/h4-7,10,13H,8-9,16H2,1-3H3
InChIKeyRLCZQEPFWFKJAR-UHFFFAOYSA-N
XLogP2.39
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634543
1-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634665
2-ethoxy-1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633864
1-[5-[2-(3-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 62367459
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-propoxyethanamine
CID 104634245
1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61324398
1-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634751
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61324401
1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61326226
1-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634360
1-[5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634804
3-[3-(1-amino-2-propan-2-yloxyethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
CID 104634668

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
The IUPAC name of 1-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine (CID 104634676) is 1-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine is Cc1cccc(Cc2nc(C(N)COC(C)C)no2)c1.
What is the InChIKey of 1-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
The InChIKey is RLCZQEPFWFKJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(2)19-9-13(16)15-17-14(20-18-15)8-12-6-4-5-11(3)7-12/h4-7,10,13H,8-9,16H2,1-3H3.
What are the key properties of 1-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
1-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine has a molecular weight of 275.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine is sourced from PubChem (CID 104634676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).