5-(3-aminopropyl)-4-chloro-1,3-oxazol-2-amine

C6H10ClN3O — CID 83874482

IUPAC5-(3-aminopropyl)-4-chloro-1,3-oxazol-2-amine
SMILESNCCCc1oc(N)nc1Cl
InChIInChI=1S/C6H10ClN3O/c7-5-4(2-1-3-8)11-6(9)10-5/h1-3,8H2,(H2,9,10)
InChIKeyXSXQGDWRJDZCCQ-UHFFFAOYSA-N
MW175.62 g/mol
LogP0.80
Rot. Bonds3

About 5-(3-aminopropyl)-4-chloro-1,3-oxazol-2-amine

5-(3-aminopropyl)-4-chloro-1,3-oxazol-2-amine (PubChem CID 83874482) has the molecular formula C6H10ClN3O and a molecular weight of 175.62 g/mol. Its IUPAC name is 5-(3-aminopropyl)-4-chloro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(3-aminopropyl)-4-chloro-1,3-oxazol-2-amine
PubChem CID83874482
Molecular FormulaC6H10ClN3O
Molecular Weight175.62 g/mol
Exact Mass175.05
IUPAC Name5-(3-aminopropyl)-4-chloro-1,3-oxazol-2-amine
SMILESNCCCc1oc(N)nc1Cl
InChIInChI=1S/C6H10ClN3O/c7-5-4(2-1-3-8)11-6(9)10-5/h1-3,8H2,(H2,9,10)
InChIKeyXSXQGDWRJDZCCQ-UHFFFAOYSA-N
XLogP0.80
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.62
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-4-chloro-1,3-oxazol-2-amine?
The IUPAC name of 5-(3-aminopropyl)-4-chloro-1,3-oxazol-2-amine (CID 83874482) is 5-(3-aminopropyl)-4-chloro-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(3-aminopropyl)-4-chloro-1,3-oxazol-2-amine?
The canonical SMILES for 5-(3-aminopropyl)-4-chloro-1,3-oxazol-2-amine is NCCCc1oc(N)nc1Cl.
What is the InChIKey of 5-(3-aminopropyl)-4-chloro-1,3-oxazol-2-amine?
The InChIKey is XSXQGDWRJDZCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3O/c7-5-4(2-1-3-8)11-6(9)10-5/h1-3,8H2,(H2,9,10).
What are the key properties of 5-(3-aminopropyl)-4-chloro-1,3-oxazol-2-amine?
5-(3-aminopropyl)-4-chloro-1,3-oxazol-2-amine has a molecular weight of 175.62 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-4-chloro-1,3-oxazol-2-amine is sourced from PubChem (CID 83874482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).