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

C12H15N3O — CID 43358487

IUPAC1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCc1ccccc1-c1noc(CC(C)N)n1
InChIInChI=1S/C12H15N3O/c1-8-5-3-4-6-10(8)12-14-11(16-15-12)7-9(2)13/h3-6,9H,7,13H2,1-2H3
InChIKeyXDQXXHWQRPCAKM-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.93
Rot. Bonds3

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

1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 43358487) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID43358487
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCc1ccccc1-c1noc(CC(C)N)n1
InChIInChI=1S/C12H15N3O/c1-8-5-3-4-6-10(8)12-14-11(16-15-12)7-9(2)13/h3-6,9H,7,13H2,1-2H3
InChIKeyXDQXXHWQRPCAKM-UHFFFAOYSA-N
XLogP1.93
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62715597
1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 81273058
1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 115081520
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 63345566
3,3-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63344942
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butan-2-amine
CID 66229386
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63350773
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347498
2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propan-1-ol
CID 112548713
1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 43358218
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350731
1-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 104881000

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 43358487) is 1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is Cc1ccccc1-c1noc(CC(C)N)n1.
What is the InChIKey of 1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is XDQXXHWQRPCAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-5-3-4-6-10(8)12-14-11(16-15-12)7-9(2)13/h3-6,9H,7,13H2,1-2H3.
What are the key properties of 1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 217.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 43358487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).