(5-chloro-1,2-benzoxazol-3-yl)methanamine;hydrochloride

C8H8Cl2N2O — CID 82020480

IUPAC(5-chloro-1,2-benzoxazol-3-yl)methanamine;hydrochloride
SMILESCl.NCc1noc2ccc(Cl)cc12
InChIInChI=1S/C8H7ClN2O.ClH/c9-5-1-2-8-6(3-5)7(4-10)11-12-8;/h1-3H,4,10H2;1H
InChIKeyDYLVIERBOAVNFM-UHFFFAOYSA-N
MW219.07 g/mol
LogP2.36
Rot. Bonds1

About (5-chloro-1,2-benzoxazol-3-yl)methanamine;hydrochloride

(5-chloro-1,2-benzoxazol-3-yl)methanamine;hydrochloride (PubChem CID 82020480) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.07 g/mol. Its IUPAC name is (5-chloro-1,2-benzoxazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-chloro-1,2-benzoxazol-3-yl)methanamine;hydrochloride
PubChem CID82020480
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.07 g/mol
Exact Mass218.00
IUPAC Name(5-chloro-1,2-benzoxazol-3-yl)methanamine;hydrochloride
SMILESCl.NCc1noc2ccc(Cl)cc12
InChIInChI=1S/C8H7ClN2O.ClH/c9-5-1-2-8-6(3-5)7(4-10)11-12-8;/h1-3H,4,10H2;1H
InChIKeyDYLVIERBOAVNFM-UHFFFAOYSA-N
XLogP2.36
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(5-chloro-1,2-benzoxazol-3-yl)sulfanyl]ethanamine;hydrochloride
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5-chloro-3-(2-piperazin-1-ylethyl)-1,2-benzoxazole
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(5-chloro-2,1-benzoxazol-3-yl)methanamine
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[2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl] sulfamate;hydrochloride
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1-N-(5-chloro-1,2-benzoxazol-3-yl)cyclobutane-1,3-diamine
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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,2-benzoxazol-3-yl)methanamine;hydrochloride?
The IUPAC name of (5-chloro-1,2-benzoxazol-3-yl)methanamine;hydrochloride (CID 82020480) is (5-chloro-1,2-benzoxazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-chloro-1,2-benzoxazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for (5-chloro-1,2-benzoxazol-3-yl)methanamine;hydrochloride is Cl.NCc1noc2ccc(Cl)cc12.
What is the InChIKey of (5-chloro-1,2-benzoxazol-3-yl)methanamine;hydrochloride?
The InChIKey is DYLVIERBOAVNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O.ClH/c9-5-1-2-8-6(3-5)7(4-10)11-12-8;/h1-3H,4,10H2;1H.
What are the key properties of (5-chloro-1,2-benzoxazol-3-yl)methanamine;hydrochloride?
(5-chloro-1,2-benzoxazol-3-yl)methanamine;hydrochloride has a molecular weight of 219.07 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,2-benzoxazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 82020480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).