5-N,3-dimethyl-1,2-oxazole-4,5-diamine

C5H9N3O — CID 118227876

IUPAC5-N,3-dimethyl-1,2-oxazole-4,5-diamine
SMILESCNc1onc(C)c1N
InChIInChI=1S/C5H9N3O/c1-3-4(6)5(7-2)9-8-3/h7H,6H2,1-2H3
InChIKeyCRKDPGHFGWMLRR-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.61
Rot. Bonds1

About 5-N,3-dimethyl-1,2-oxazole-4,5-diamine

5-N,3-dimethyl-1,2-oxazole-4,5-diamine (PubChem CID 118227876) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 5-N,3-dimethyl-1,2-oxazole-4,5-diamine.

Molecular Properties

Compound Name5-N,3-dimethyl-1,2-oxazole-4,5-diamine
PubChem CID118227876
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name5-N,3-dimethyl-1,2-oxazole-4,5-diamine
SMILESCNc1onc(C)c1N
InChIInChI=1S/C5H9N3O/c1-3-4(6)5(7-2)9-8-3/h7H,6H2,1-2H3
InChIKeyCRKDPGHFGWMLRR-UHFFFAOYSA-N
XLogP0.61
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N,3-dimethyl-1,2-oxazole-4,5-diamine?
The IUPAC name of 5-N,3-dimethyl-1,2-oxazole-4,5-diamine (CID 118227876) is 5-N,3-dimethyl-1,2-oxazole-4,5-diamine.
What is the SMILES notation for 5-N,3-dimethyl-1,2-oxazole-4,5-diamine?
The canonical SMILES for 5-N,3-dimethyl-1,2-oxazole-4,5-diamine is CNc1onc(C)c1N.
What is the InChIKey of 5-N,3-dimethyl-1,2-oxazole-4,5-diamine?
The InChIKey is CRKDPGHFGWMLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-3-4(6)5(7-2)9-8-3/h7H,6H2,1-2H3.
What are the key properties of 5-N,3-dimethyl-1,2-oxazole-4,5-diamine?
5-N,3-dimethyl-1,2-oxazole-4,5-diamine has a molecular weight of 127.15 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,3-dimethyl-1,2-oxazole-4,5-diamine is sourced from PubChem (CID 118227876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).