2-(chloromethyl)-1,3-oxazole;hydrochloride

Name: 2-(chloromethyl)-1,3-oxazole;hydrochloride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₄H₅Cl₂NO — CID 155858959

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-(chloromethyl)-1,3-oxazole;hydrochloride

SMILESCl.ClCc1ncco1

InChIInChI=1S/C4H4ClNO.ClH/c5-3-4-6-1-2-7-4;/h1-2H,3H2;1H

InChIKeyUPVLGAIHYMSXPS-UHFFFAOYSA-N

MW154.00 g/mol

LogP1.84

Rot. Bonds1

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

2-(chloromethyl)-1,3-oxazole;hydrochloride (PubChem CID 155858959) has the molecular formula C₄H₅Cl₂NO and a molecular weight of 154.00 g/mol. Its IUPAC name is 2-(chloromethyl)-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name	2-(chloromethyl)-1,3-oxazole;hydrochloride
PubChem CID	155858959
Molecular Formula	C₄H₅Cl₂NO
Molecular Weight	154.00 g/mol
Exact Mass	152.97
IUPAC Name	2-(chloromethyl)-1,3-oxazole;hydrochloride
SMILES	Cl.ClCc1ncco1
InChI	InChI=1S/C4H4ClNO.ClH/c5-3-4-6-1-2-7-4;/h1-2H,3H2;1H
InChIKey	UPVLGAIHYMSXPS-UHFFFAOYSA-N
XLogP	1.84
TPSA	26.03 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	8
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	154.00
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1,3-oxazole;hydrochloride?

The IUPAC name of 2-(chloromethyl)-1,3-oxazole;hydrochloride (CID 155858959) is 2-(chloromethyl)-1,3-oxazole;hydrochloride.

What is the SMILES notation for 2-(chloromethyl)-1,3-oxazole;hydrochloride?

The canonical SMILES for 2-(chloromethyl)-1,3-oxazole;hydrochloride is Cl.ClCc1ncco1.

What is the InChIKey of 2-(chloromethyl)-1,3-oxazole;hydrochloride?

The InChIKey is UPVLGAIHYMSXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClNO.ClH/c5-3-4-6-1-2-7-4;/h1-2H,3H2;1H.

What are the key properties of 2-(chloromethyl)-1,3-oxazole;hydrochloride?

2-(chloromethyl)-1,3-oxazole;hydrochloride has a molecular weight of 154.00 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(chloromethyl)-1,3-oxazole;hydrochloride is sourced from PubChem (CID 155858959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155858959 — identifiers, structure, computed properties (public domain)

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