5-(3-aminopropyl)-1,2-oxazol-3-one

C6H10N2O2 — CID 55290312

IUPAC5-(3-aminopropyl)-1,2-oxazol-3-one
SMILESNCCCc1cc(=O)[nH]o1
InChIInChI=1S/C6H10N2O2/c7-3-1-2-5-4-6(9)8-10-5/h4H,1-3,7H2,(H,8,9)
InChIKeyUGQDVYJBCHXBPF-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.14
Rot. Bonds3

About 5-(3-aminopropyl)-1,2-oxazol-3-one

5-(3-aminopropyl)-1,2-oxazol-3-one (PubChem CID 55290312) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 5-(3-aminopropyl)-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-1,2-oxazol-3-one
PubChem CID55290312
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name5-(3-aminopropyl)-1,2-oxazol-3-one
SMILESNCCCc1cc(=O)[nH]o1
InChIInChI=1S/C6H10N2O2/c7-3-1-2-5-4-6(9)8-10-5/h4H,1-3,7H2,(H,8,9)
InChIKeyUGQDVYJBCHXBPF-UHFFFAOYSA-N
XLogP-0.14
TPSA72.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-1,2-oxazol-3-one?
The IUPAC name of 5-(3-aminopropyl)-1,2-oxazol-3-one (CID 55290312) is 5-(3-aminopropyl)-1,2-oxazol-3-one.
What is the SMILES notation for 5-(3-aminopropyl)-1,2-oxazol-3-one?
The canonical SMILES for 5-(3-aminopropyl)-1,2-oxazol-3-one is NCCCc1cc(=O)[nH]o1.
What is the InChIKey of 5-(3-aminopropyl)-1,2-oxazol-3-one?
The InChIKey is UGQDVYJBCHXBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c7-3-1-2-5-4-6(9)8-10-5/h4H,1-3,7H2,(H,8,9).
What are the key properties of 5-(3-aminopropyl)-1,2-oxazol-3-one?
5-(3-aminopropyl)-1,2-oxazol-3-one has a molecular weight of 142.16 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-1,2-oxazol-3-one is sourced from PubChem (CID 55290312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).