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

C6H11N3O — CID 83845440

IUPAC3-(3-aminopropyl)-1,2-oxazol-5-amine
SMILESNCCCc1cc(N)on1
InChIInChI=1S/C6H11N3O/c7-3-1-2-5-4-6(8)10-9-5/h4H,1-3,7-8H2
InChIKeyMSHHHZNVILAGPT-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.15
Rot. Bonds3

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

3-(3-aminopropyl)-1,2-oxazol-5-amine (PubChem CID 83845440) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-aminopropyl)-1,2-oxazol-5-amine
PubChem CID83845440
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name3-(3-aminopropyl)-1,2-oxazol-5-amine
SMILESNCCCc1cc(N)on1
InChIInChI=1S/C6H11N3O/c7-3-1-2-5-4-6(8)10-9-5/h4H,1-3,7-8H2
InChIKeyMSHHHZNVILAGPT-UHFFFAOYSA-N
XLogP0.15
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-octyl-1,2-oxazol-5-amine
CID 65427877
3-(5-methyl-1,2-oxazol-3-yl)propan-1-amine
CID 18071348
3-propyl-1,2-oxazol-5-amine
CID 2104061
3-(5-tert-butyl-1,2-oxazol-3-yl)propan-1-amine;hydrochloride
CID 126843999
3-ethyl-1,2-oxazol-5-amine
CID 10866295
3-(3-fluorobut-3-enyl)-1,2-oxazol-5-amine
CID 170138401
3-[2-(4-ethylphenyl)ethyl]-1,2-oxazol-5-amine
CID 82078778
3-(2-thiophen-2-ylethyl)-1,2-oxazol-5-amine
CID 82075946
3-(cyclopropylmethyl)-1,2-oxazol-5-amine
CID 54776320
3-(2-piperidin-4-ylethyl)-1,2-oxazol-5-amine
CID 83847589
3-[2-(2-fluorophenoxy)ethyl]-1,2-oxazol-5-amine
CID 82080194
3-[2-(3-chlorophenyl)ethyl]-1,2-oxazol-5-amine
CID 82080374

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-aminopropyl)-1,2-oxazol-5-amine (CID 83845440) is 3-(3-aminopropyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-aminopropyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-aminopropyl)-1,2-oxazol-5-amine is NCCCc1cc(N)on1.
What is the InChIKey of 3-(3-aminopropyl)-1,2-oxazol-5-amine?
The InChIKey is MSHHHZNVILAGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c7-3-1-2-5-4-6(8)10-9-5/h4H,1-3,7-8H2.
What are the key properties of 3-(3-aminopropyl)-1,2-oxazol-5-amine?
3-(3-aminopropyl)-1,2-oxazol-5-amine has a molecular weight of 141.17 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 83845440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).