(7-chloro-1,3-benzodioxol-5-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine

C13H14ClN3O3 — CID 43559561

IUPAC(7-chloro-1,3-benzodioxol-5-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCCCc1nc(C(N)c2cc(Cl)c3c(c2)OCO3)no1
InChIInChI=1S/C13H14ClN3O3/c1-2-3-10-16-13(17-20-10)11(15)7-4-8(14)12-9(5-7)18-6-19-12/h4-5,11H,2-3,6,15H2,1H3
InChIKeyCNROSHCZYGTDAZ-UHFFFAOYSA-N
MW295.73 g/mol
LogP2.45
Rot. Bonds4

About (7-chloro-1,3-benzodioxol-5-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine

(7-chloro-1,3-benzodioxol-5-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 43559561) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is (7-chloro-1,3-benzodioxol-5-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(7-chloro-1,3-benzodioxol-5-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID43559561
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Name(7-chloro-1,3-benzodioxol-5-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCCCc1nc(C(N)c2cc(Cl)c3c(c2)OCO3)no1
InChIInChI=1S/C13H14ClN3O3/c1-2-3-10-16-13(17-20-10)11(15)7-4-8(14)12-9(5-7)18-6-19-12/h4-5,11H,2-3,6,15H2,1H3
InChIKeyCNROSHCZYGTDAZ-UHFFFAOYSA-N
XLogP2.45
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7-chloro-1,3-benzodioxol-5-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine with MolForge

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Related Compounds

(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559440
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559308
(3,4-dimethylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43753558
phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
CID 54594395
(4-cyclopropylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 79980476
4-chloro-6-propan-2-yl-1,3-benzodioxole
CID 58332059
(4-tert-butyl-1,3-thiazol-2-yl)-(7-chloro-1,3-benzodioxol-5-yl)methanamine
CID 61330890
1-(7-chloro-1,3-benzodioxol-5-yl)propan-1-ol
CID 63895238
(2S)-2-amino-2-(7-chloro-1,3-benzodioxol-5-yl)ethanol
CID 93471728
(7-chloro-1,3-benzodioxol-5-yl)-(1,3-thiazol-2-yl)methanamine
CID 61332839
ethyl (3S)-3-amino-3-(7-chloro-1,3-benzodioxol-5-yl)propanoate
CID 61150233
2-(7-chloro-1,3-benzodioxol-5-yl)-2-(propylamino)acetonitrile
CID 43143730

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1,3-benzodioxol-5-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (7-chloro-1,3-benzodioxol-5-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine (CID 43559561) is (7-chloro-1,3-benzodioxol-5-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (7-chloro-1,3-benzodioxol-5-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (7-chloro-1,3-benzodioxol-5-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine is CCCc1nc(C(N)c2cc(Cl)c3c(c2)OCO3)no1.
What is the InChIKey of (7-chloro-1,3-benzodioxol-5-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is CNROSHCZYGTDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c1-2-3-10-16-13(17-20-10)11(15)7-4-8(14)12-9(5-7)18-6-19-12/h4-5,11H,2-3,6,15H2,1H3.
What are the key properties of (7-chloro-1,3-benzodioxol-5-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine?
(7-chloro-1,3-benzodioxol-5-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 295.73 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1,3-benzodioxol-5-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 43559561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).