4,5-dimethyl-1,2-oxazol-3-amine;molecular hydrogen;hydrate

C5H12N2O2 — CID 143915850

IUPAC4,5-dimethyl-1,2-oxazol-3-amine;molecular hydrogen;hydrate
SMILESCc1onc(N)c1C.O.[H][H]
InChIInChI=1S/C5H8N2O.H2O.H2/c1-3-4(2)8-7-5(3)6;;/h1-2H3,(H2,6,7);1H2;1H
InChIKeyMVEVPAYTIHNBBD-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.29
Rot. Bonds

About 4,5-dimethyl-1,2-oxazol-3-amine;molecular hydrogen;hydrate

4,5-dimethyl-1,2-oxazol-3-amine;molecular hydrogen;hydrate (PubChem CID 143915850) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 4,5-dimethyl-1,2-oxazol-3-amine;molecular hydrogen;hydrate.

Molecular Properties

Compound Name4,5-dimethyl-1,2-oxazol-3-amine;molecular hydrogen;hydrate
PubChem CID143915850
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name4,5-dimethyl-1,2-oxazol-3-amine;molecular hydrogen;hydrate
SMILESCc1onc(N)c1C.O.[H][H]
InChIInChI=1S/C5H8N2O.H2O.H2/c1-3-4(2)8-7-5(3)6;;/h1-2H3,(H2,6,7);1H2;1H
InChIKeyMVEVPAYTIHNBBD-UHFFFAOYSA-N
XLogP0.29
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,2-oxazol-3-amine;molecular hydrogen;hydrate?
The IUPAC name of 4,5-dimethyl-1,2-oxazol-3-amine;molecular hydrogen;hydrate (CID 143915850) is 4,5-dimethyl-1,2-oxazol-3-amine;molecular hydrogen;hydrate.
What is the SMILES notation for 4,5-dimethyl-1,2-oxazol-3-amine;molecular hydrogen;hydrate?
The canonical SMILES for 4,5-dimethyl-1,2-oxazol-3-amine;molecular hydrogen;hydrate is Cc1onc(N)c1C.O.[H][H].
What is the InChIKey of 4,5-dimethyl-1,2-oxazol-3-amine;molecular hydrogen;hydrate?
The InChIKey is MVEVPAYTIHNBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.H2O.H2/c1-3-4(2)8-7-5(3)6;;/h1-2H3,(H2,6,7);1H2;1H.
What are the key properties of 4,5-dimethyl-1,2-oxazol-3-amine;molecular hydrogen;hydrate?
4,5-dimethyl-1,2-oxazol-3-amine;molecular hydrogen;hydrate has a molecular weight of 132.16 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,2-oxazol-3-amine;molecular hydrogen;hydrate is sourced from PubChem (CID 143915850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).