(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanamine;hydrochloride

C7H13ClN2O — CID 119031976

IUPAC(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanamine;hydrochloride
SMILESCCc1nc(C)c(CN)o1.Cl
InChIInChI=1S/C7H12N2O.ClH/c1-3-7-9-5(2)6(4-8)10-7;/h3-4,8H2,1-2H3;1H
InChIKeyANYNVJVGLLUJRL-UHFFFAOYSA-N
MW176.65 g/mol
LogP1.43
Rot. Bonds2

About (2-ethyl-4-methyl-1,3-oxazol-5-yl)methanamine;hydrochloride

(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanamine;hydrochloride (PubChem CID 119031976) has the molecular formula C7H13ClN2O and a molecular weight of 176.65 g/mol. Its IUPAC name is (2-ethyl-4-methyl-1,3-oxazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanamine;hydrochloride
PubChem CID119031976
Molecular FormulaC7H13ClN2O
Molecular Weight176.65 g/mol
Exact Mass176.07
IUPAC Name(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanamine;hydrochloride
SMILESCCc1nc(C)c(CN)o1.Cl
InChIInChI=1S/C7H12N2O.ClH/c1-3-7-9-5(2)6(4-8)10-7;/h3-4,8H2,1-2H3;1H
InChIKeyANYNVJVGLLUJRL-UHFFFAOYSA-N
XLogP1.43
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-methyl-1,3-oxazol-5-yl)methanamine;hydrochloride?
The IUPAC name of (2-ethyl-4-methyl-1,3-oxazol-5-yl)methanamine;hydrochloride (CID 119031976) is (2-ethyl-4-methyl-1,3-oxazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (2-ethyl-4-methyl-1,3-oxazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for (2-ethyl-4-methyl-1,3-oxazol-5-yl)methanamine;hydrochloride is CCc1nc(C)c(CN)o1.Cl.
What is the InChIKey of (2-ethyl-4-methyl-1,3-oxazol-5-yl)methanamine;hydrochloride?
The InChIKey is ANYNVJVGLLUJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.ClH/c1-3-7-9-5(2)6(4-8)10-7;/h3-4,8H2,1-2H3;1H.
What are the key properties of (2-ethyl-4-methyl-1,3-oxazol-5-yl)methanamine;hydrochloride?
(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanamine;hydrochloride has a molecular weight of 176.65 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-methyl-1,3-oxazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 119031976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).