1,2,4-oxadiazol-3-yl-(4-propan-2-yloxyphenyl)methanamine

C12H15N3O2 — CID 54932919

IUPAC1,2,4-oxadiazol-3-yl-(4-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccc(C(N)c2ncon2)cc1
InChIInChI=1S/C12H15N3O2/c1-8(2)17-10-5-3-9(4-6-10)11(13)12-14-7-16-15-12/h3-8,11H,13H2,1-2H3
InChIKeyNKAFTGUGRUFMSZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.90
Rot. Bonds4

About 1,2,4-oxadiazol-3-yl-(4-propan-2-yloxyphenyl)methanamine

1,2,4-oxadiazol-3-yl-(4-propan-2-yloxyphenyl)methanamine (PubChem CID 54932919) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1,2,4-oxadiazol-3-yl-(4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name1,2,4-oxadiazol-3-yl-(4-propan-2-yloxyphenyl)methanamine
PubChem CID54932919
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1,2,4-oxadiazol-3-yl-(4-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccc(C(N)c2ncon2)cc1
InChIInChI=1S/C12H15N3O2/c1-8(2)17-10-5-3-9(4-6-10)11(13)12-14-7-16-15-12/h3-8,11H,13H2,1-2H3
InChIKeyNKAFTGUGRUFMSZ-UHFFFAOYSA-N
XLogP1.90
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 172440104
3-(4-Methoxybenzyl)-1,2,4-oxadiazole
CID 12762725
3-(4-Methoxyphenyl)-1,2,4-oxadiazole
CID 15369611
3-(3-Methoxybenzyl)-1,2,4-oxadiazole
CID 90907925
3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 75421627
2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(1S)-1-[4-(2-methylpropoxy)phenyl]ethyl]guanidine
CID 97327909
3-[4-(2,2,2-Trifluoroethoxy)phenyl]-1,2,4-oxadiazole
CID 91082341
(E)-3-fluoro-2-[[4-(1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 153384806
3-[4-(Trifluoromethoxy)benzyl]-1,2,4-oxadiazole
CID 153976885
(Z)-3-fluoro-2-[[4-(1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162459620
3-(4-Butoxy-3-fluorophenyl)-1,2,4-oxadiazole
CID 165180066
3-[4-(1,1-Difluoroethoxy)phenyl]-1,2,4-oxadiazole
CID 167046911

Frequently Asked Questions

What is the IUPAC name of 1,2,4-oxadiazol-3-yl-(4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of 1,2,4-oxadiazol-3-yl-(4-propan-2-yloxyphenyl)methanamine (CID 54932919) is 1,2,4-oxadiazol-3-yl-(4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for 1,2,4-oxadiazol-3-yl-(4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for 1,2,4-oxadiazol-3-yl-(4-propan-2-yloxyphenyl)methanamine is CC(C)Oc1ccc(C(N)c2ncon2)cc1.
What is the InChIKey of 1,2,4-oxadiazol-3-yl-(4-propan-2-yloxyphenyl)methanamine?
The InChIKey is NKAFTGUGRUFMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(2)17-10-5-3-9(4-6-10)11(13)12-14-7-16-15-12/h3-8,11H,13H2,1-2H3.
What are the key properties of 1,2,4-oxadiazol-3-yl-(4-propan-2-yloxyphenyl)methanamine?
1,2,4-oxadiazol-3-yl-(4-propan-2-yloxyphenyl)methanamine has a molecular weight of 233.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-oxadiazol-3-yl-(4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 54932919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).