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

C11H11ClIN3O — CID 103211770

IUPAC1-[5-(3-chloro-4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)Cc1noc(-c2ccc(I)c(Cl)c2)n1
InChIInChI=1S/C11H11ClIN3O/c1-6(14)4-10-15-11(17-16-10)7-2-3-9(13)8(12)5-7/h2-3,5-6H,4,14H2,1H3
InChIKeyQZMZLYIJYJFCLY-UHFFFAOYSA-N
MW363.59 g/mol
LogP2.88
Rot. Bonds3

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

1-[5-(3-chloro-4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 103211770) has the molecular formula C11H11ClIN3O and a molecular weight of 363.59 g/mol. Its IUPAC name is 1-[5-(3-chloro-4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(3-chloro-4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID103211770
Molecular FormulaC11H11ClIN3O
Molecular Weight363.59 g/mol
Exact Mass362.96
IUPAC Name1-[5-(3-chloro-4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)Cc1noc(-c2ccc(I)c(Cl)c2)n1
InChIInChI=1S/C11H11ClIN3O/c1-6(14)4-10-15-11(17-16-10)7-2-3-9(13)8(12)5-7/h2-3,5-6H,4,14H2,1H3
InChIKeyQZMZLYIJYJFCLY-UHFFFAOYSA-N
XLogP2.88
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.59
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63744389
3-[3-(2-aminopropyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 55101582
1-[5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 55161983
1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63190077
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 107965393
1-[5-(5-bromofuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62651224
2-iodo-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 112750136
[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 2726656
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62653412
1-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62651230
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 55101679
5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-iodophenol
CID 114103800

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-[5-(3-chloro-4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 103211770) is 1-[5-(3-chloro-4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(3-chloro-4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-[5-(3-chloro-4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(N)Cc1noc(-c2ccc(I)c(Cl)c2)n1.
What is the InChIKey of 1-[5-(3-chloro-4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is QZMZLYIJYJFCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClIN3O/c1-6(14)4-10-15-11(17-16-10)7-2-3-9(13)8(12)5-7/h2-3,5-6H,4,14H2,1H3.
What are the key properties of 1-[5-(3-chloro-4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-[5-(3-chloro-4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 363.59 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloro-4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 103211770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).