3-propyl-1,2-oxazole-4,5-diamine

C6H11N3O — CID 69334662

IUPAC3-propyl-1,2-oxazole-4,5-diamine
SMILESCCCc1noc(N)c1N
InChIInChI=1S/C6H11N3O/c1-2-3-4-5(7)6(8)10-9-4/h2-3,7-8H2,1H3
InChIKeyBXSLMIADXCGPDL-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.79
Rot. Bonds2

About 3-propyl-1,2-oxazole-4,5-diamine

3-propyl-1,2-oxazole-4,5-diamine (PubChem CID 69334662) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-propyl-1,2-oxazole-4,5-diamine.

Molecular Properties

Compound Name3-propyl-1,2-oxazole-4,5-diamine
PubChem CID69334662
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name3-propyl-1,2-oxazole-4,5-diamine
SMILESCCCc1noc(N)c1N
InChIInChI=1S/C6H11N3O/c1-2-3-4-5(7)6(8)10-9-4/h2-3,7-8H2,1H3
InChIKeyBXSLMIADXCGPDL-UHFFFAOYSA-N
XLogP0.79
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-propyl-1,2-oxazol-5-amine
CID 2104061
3-(2-cyclopropylethyl)-4-methyl-1,2-oxazol-5-amine
CID 130791941
4-ethyl-3-(2-methoxyethyl)-1,2-oxazol-5-amine
CID 43670965
3-butyl-4-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine
CID 82089595
ethane;3-propyl-1,2,4-oxadiazol-5-amine
CID 153346311
4-arsoroso-5-methyl-3-propyl-1,2-oxazole
CID 59067329
ethyl 5-methyl-3-propyl-1,2-oxazole-4-carboxylate
CID 66643541
4-(2-methylphenyl)-3-pentyl-1,2-oxazol-5-amine
CID 43157921
3-butyl-4-(3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 55130857
4-(4-fluorophenyl)-3-hexyl-1,2-oxazol-5-amine
CID 114753015
4-(1,3-benzodioxol-5-yl)-3-hexyl-1,2-oxazol-5-amine
CID 114753024
4-ethyl-5-propyl-1,2-oxazol-3-amine
CID 66198038

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1,2-oxazole-4,5-diamine?
The IUPAC name of 3-propyl-1,2-oxazole-4,5-diamine (CID 69334662) is 3-propyl-1,2-oxazole-4,5-diamine.
What is the SMILES notation for 3-propyl-1,2-oxazole-4,5-diamine?
The canonical SMILES for 3-propyl-1,2-oxazole-4,5-diamine is CCCc1noc(N)c1N.
What is the InChIKey of 3-propyl-1,2-oxazole-4,5-diamine?
The InChIKey is BXSLMIADXCGPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-2-3-4-5(7)6(8)10-9-4/h2-3,7-8H2,1H3.
What are the key properties of 3-propyl-1,2-oxazole-4,5-diamine?
3-propyl-1,2-oxazole-4,5-diamine has a molecular weight of 141.17 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1,2-oxazole-4,5-diamine is sourced from PubChem (CID 69334662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).