N-methyl-1,3-oxazol-5-amine;hydrochloride

C4H7ClN2O — CID 53401339

IUPACN-methyl-1,3-oxazol-5-amine;hydrochloride
SMILESCNc1cnco1.Cl
InChIInChI=1S/C4H6N2O.ClH/c1-5-4-2-6-3-7-4;/h2-3,5H,1H3;1H
InChIKeyAWTSLWMSLJUXJL-UHFFFAOYSA-N
MW134.57 g/mol
LogP1.14
Rot. Bonds1

About N-methyl-1,3-oxazol-5-amine;hydrochloride

N-methyl-1,3-oxazol-5-amine;hydrochloride (PubChem CID 53401339) has the molecular formula C4H7ClN2O and a molecular weight of 134.57 g/mol. Its IUPAC name is N-methyl-1,3-oxazol-5-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1,3-oxazol-5-amine;hydrochloride
PubChem CID53401339
Molecular FormulaC4H7ClN2O
Molecular Weight134.57 g/mol
Exact Mass134.02
IUPAC NameN-methyl-1,3-oxazol-5-amine;hydrochloride
SMILESCNc1cnco1.Cl
InChIInChI=1S/C4H6N2O.ClH/c1-5-4-2-6-3-7-4;/h2-3,5H,1H3;1H
InChIKeyAWTSLWMSLJUXJL-UHFFFAOYSA-N
XLogP1.14
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.57
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3-oxazol-5-amine;hydrochloride?
The IUPAC name of N-methyl-1,3-oxazol-5-amine;hydrochloride (CID 53401339) is N-methyl-1,3-oxazol-5-amine;hydrochloride.
What is the SMILES notation for N-methyl-1,3-oxazol-5-amine;hydrochloride?
The canonical SMILES for N-methyl-1,3-oxazol-5-amine;hydrochloride is CNc1cnco1.Cl.
What is the InChIKey of N-methyl-1,3-oxazol-5-amine;hydrochloride?
The InChIKey is AWTSLWMSLJUXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O.ClH/c1-5-4-2-6-3-7-4;/h2-3,5H,1H3;1H.
What are the key properties of N-methyl-1,3-oxazol-5-amine;hydrochloride?
N-methyl-1,3-oxazol-5-amine;hydrochloride has a molecular weight of 134.57 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-oxazol-5-amine;hydrochloride is sourced from PubChem (CID 53401339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).