5-(chloromethyl)-3-pyridin-3-yl-1,2-oxazole;hydrochloride

C9H8Cl2N2O — CID 53398877

IUPAC5-(chloromethyl)-3-pyridin-3-yl-1,2-oxazole;hydrochloride
SMILESCl.ClCc1cc(-c2cccnc2)no1
InChIInChI=1S/C9H7ClN2O.ClH/c10-5-8-4-9(12-13-8)7-2-1-3-11-6-7;/h1-4,6H,5H2;1H
InChIKeySGUCRAMNOBXDFB-UHFFFAOYSA-N
MW231.08 g/mol
LogP2.90
Rot. Bonds2

About 5-(chloromethyl)-3-pyridin-3-yl-1,2-oxazole;hydrochloride

5-(chloromethyl)-3-pyridin-3-yl-1,2-oxazole;hydrochloride (PubChem CID 53398877) has the molecular formula C9H8Cl2N2O and a molecular weight of 231.08 g/mol. Its IUPAC name is 5-(chloromethyl)-3-pyridin-3-yl-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name5-(chloromethyl)-3-pyridin-3-yl-1,2-oxazole;hydrochloride
PubChem CID53398877
Molecular FormulaC9H8Cl2N2O
Molecular Weight231.08 g/mol
Exact Mass230.00
IUPAC Name5-(chloromethyl)-3-pyridin-3-yl-1,2-oxazole;hydrochloride
SMILESCl.ClCc1cc(-c2cccnc2)no1
InChIInChI=1S/C9H7ClN2O.ClH/c10-5-8-4-9(12-13-8)7-2-1-3-11-6-7;/h1-4,6H,5H2;1H
InChIKeySGUCRAMNOBXDFB-UHFFFAOYSA-N
XLogP2.90
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole
CID 143675921
2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetic acid
CID 82282715
5-hexyl-3-pyridin-3-yl-1,2-oxazole
CID 134695050
3,5-dipyridin-3-yl-1,2-oxazole
CID 14593332
N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 70724833
4-(hydroxymethyl)-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
CID 56752239
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 171908814
1-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethanol
CID 44605540
5-(3-methylphenyl)-3-pyridin-3-yl-1,2-oxazole
CID 44546226
methyl-diphenyl-(3-pyridin-3-yl-1,2-oxazol-5-yl)silane
CID 10593425
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-(4-pyridin-3-ylphenyl)methanamine
CID 56898566
1-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 46949495

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-pyridin-3-yl-1,2-oxazole;hydrochloride?
The IUPAC name of 5-(chloromethyl)-3-pyridin-3-yl-1,2-oxazole;hydrochloride (CID 53398877) is 5-(chloromethyl)-3-pyridin-3-yl-1,2-oxazole;hydrochloride.
What is the SMILES notation for 5-(chloromethyl)-3-pyridin-3-yl-1,2-oxazole;hydrochloride?
The canonical SMILES for 5-(chloromethyl)-3-pyridin-3-yl-1,2-oxazole;hydrochloride is Cl.ClCc1cc(-c2cccnc2)no1.
What is the InChIKey of 5-(chloromethyl)-3-pyridin-3-yl-1,2-oxazole;hydrochloride?
The InChIKey is SGUCRAMNOBXDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O.ClH/c10-5-8-4-9(12-13-8)7-2-1-3-11-6-7;/h1-4,6H,5H2;1H.
What are the key properties of 5-(chloromethyl)-3-pyridin-3-yl-1,2-oxazole;hydrochloride?
5-(chloromethyl)-3-pyridin-3-yl-1,2-oxazole;hydrochloride has a molecular weight of 231.08 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-pyridin-3-yl-1,2-oxazole;hydrochloride is sourced from PubChem (CID 53398877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).