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

C11H12ClN3O — CID 84700432

IUPAC1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]propan-2-amine
SMILESCC(N)Cc1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C11H12ClN3O/c1-7(13)5-10-14-15-11(16-10)8-3-2-4-9(12)6-8/h2-4,6-7H,5,13H2,1H3
InChIKeyMDERXRSIVCRVBT-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.28
Rot. Bonds3

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

1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]propan-2-amine (PubChem CID 84700432) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]propan-2-amine
PubChem CID84700432
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]propan-2-amine
SMILESCC(N)Cc1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C11H12ClN3O/c1-7(13)5-10-14-15-11(16-10)8-3-2-4-9(12)6-8/h2-4,6-7H,5,13H2,1H3
InChIKeyMDERXRSIVCRVBT-UHFFFAOYSA-N
XLogP2.28
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-2-amine
CID 84671547
2-(2-chloroethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole
CID 39347320
N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylethanamine
CID 110652267
[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylphosphonic acid
CID 155254162
3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 22060846
1-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 111336362
3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 55039506
2,4-dichloro-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652386
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamine
CID 39357852
3-bromo-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652371
N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,3,4-trifluoroaniline
CID 110652399
2-bromo-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652370

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]propan-2-amine?
The IUPAC name of 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]propan-2-amine (CID 84700432) is 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]propan-2-amine?
The canonical SMILES for 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]propan-2-amine is CC(N)Cc1nnc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]propan-2-amine?
The InChIKey is MDERXRSIVCRVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-7(13)5-10-14-15-11(16-10)8-3-2-4-9(12)6-8/h2-4,6-7H,5,13H2,1H3.
What are the key properties of 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]propan-2-amine?
1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]propan-2-amine has a molecular weight of 237.69 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]propan-2-amine is sourced from PubChem (CID 84700432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).