[3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine

C12H15N3O2 — CID 43839720

IUPAC[3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC(C)Oc1cccc(-c2noc(CN)n2)c1
InChIInChI=1S/C12H15N3O2/c1-8(2)16-10-5-3-4-9(6-10)12-14-11(7-13)17-15-12/h3-6,8H,7,13H2,1-2H3
InChIKeyFJGVEFKRRLCWOB-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.98
Rot. Bonds4

About [3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 43839720) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is [3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID43839720
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name[3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC(C)Oc1cccc(-c2noc(CN)n2)c1
InChIInChI=1S/C12H15N3O2/c1-8(2)16-10-5-3-4-9(6-10)12-14-11(7-13)17-15-12/h3-6,8H,7,13H2,1-2H3
InChIKeyFJGVEFKRRLCWOB-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(3-cyclobutyloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117364923
[3-[3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117312143
[3-[3-(oxan-4-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117440122
3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 8779241
3-(4-chlorophenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 8779237
acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 145151193
[3-[3-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117465934
2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008142
1-[3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-methylurea
CID 117370015
1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-propan-2-yloxyphenyl)thiourea
CID 100760320
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
4,6-dichloro-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidine
CID 66311636

Frequently Asked Questions

What is the IUPAC name of [3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 43839720) is [3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine is CC(C)Oc1cccc(-c2noc(CN)n2)c1.
What is the InChIKey of [3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is FJGVEFKRRLCWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(2)16-10-5-3-4-9(6-10)12-14-11(7-13)17-15-12/h3-6,8H,7,13H2,1-2H3.
What are the key properties of [3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 233.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 43839720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).