(2-chloro-1,3-oxazol-4-yl)methanamine;hydrochloride

C4H6Cl2N2O — CID 122236264

IUPAC(2-chloro-1,3-oxazol-4-yl)methanamine;hydrochloride
SMILESCl.NCc1coc(Cl)n1
InChIInChI=1S/C4H5ClN2O.ClH/c5-4-7-3(1-6)2-8-4;/h2H,1,6H2;1H
InChIKeyUYPQVBNHWAXORR-UHFFFAOYSA-N
MW169.01 g/mol
LogP1.21
Rot. Bonds1

About (2-chloro-1,3-oxazol-4-yl)methanamine;hydrochloride

(2-chloro-1,3-oxazol-4-yl)methanamine;hydrochloride (PubChem CID 122236264) has the molecular formula C4H6Cl2N2O and a molecular weight of 169.01 g/mol. Its IUPAC name is (2-chloro-1,3-oxazol-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-chloro-1,3-oxazol-4-yl)methanamine;hydrochloride
PubChem CID122236264
Molecular FormulaC4H6Cl2N2O
Molecular Weight169.01 g/mol
Exact Mass167.99
IUPAC Name(2-chloro-1,3-oxazol-4-yl)methanamine;hydrochloride
SMILESCl.NCc1coc(Cl)n1
InChIInChI=1S/C4H5ClN2O.ClH/c5-4-7-3(1-6)2-8-4;/h2H,1,6H2;1H
InChIKeyUYPQVBNHWAXORR-UHFFFAOYSA-N
XLogP1.21
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.01
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-1,3-oxazol-4-yl)methanamine;hydrochloride?
The IUPAC name of (2-chloro-1,3-oxazol-4-yl)methanamine;hydrochloride (CID 122236264) is (2-chloro-1,3-oxazol-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (2-chloro-1,3-oxazol-4-yl)methanamine;hydrochloride?
The canonical SMILES for (2-chloro-1,3-oxazol-4-yl)methanamine;hydrochloride is Cl.NCc1coc(Cl)n1.
What is the InChIKey of (2-chloro-1,3-oxazol-4-yl)methanamine;hydrochloride?
The InChIKey is UYPQVBNHWAXORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2O.ClH/c5-4-7-3(1-6)2-8-4;/h2H,1,6H2;1H.
What are the key properties of (2-chloro-1,3-oxazol-4-yl)methanamine;hydrochloride?
(2-chloro-1,3-oxazol-4-yl)methanamine;hydrochloride has a molecular weight of 169.01 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1,3-oxazol-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 122236264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).