2H-cyclopenta[d][1,3]oxazole;hydrochloride

C6H6ClNO — CID 67750619

IUPAC2H-cyclopenta[d][1,3]oxazole;hydrochloride
SMILESC1=CC2=NCOC2=C1.Cl
InChIInChI=1S/C6H5NO.ClH/c1-2-5-6(3-1)8-4-7-5;/h1-3H,4H2;1H
InChIKeyCEBCSWDZZIHVKV-UHFFFAOYSA-N
MW143.57 g/mol
LogP1.29
Rot. Bonds

About 2H-cyclopenta[d][1,3]oxazole;hydrochloride

2H-cyclopenta[d][1,3]oxazole;hydrochloride (PubChem CID 67750619) has the molecular formula C6H6ClNO and a molecular weight of 143.57 g/mol. Its IUPAC name is 2H-cyclopenta[d][1,3]oxazole;hydrochloride.

Molecular Properties

Compound Name2H-cyclopenta[d][1,3]oxazole;hydrochloride
PubChem CID67750619
Molecular FormulaC6H6ClNO
Molecular Weight143.57 g/mol
Exact Mass143.01
IUPAC Name2H-cyclopenta[d][1,3]oxazole;hydrochloride
SMILESC1=CC2=NCOC2=C1.Cl
InChIInChI=1S/C6H5NO.ClH/c1-2-5-6(3-1)8-4-7-5;/h1-3H,4H2;1H
InChIKeyCEBCSWDZZIHVKV-UHFFFAOYSA-N
XLogP1.29
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.57
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-cyclopenta[d][1,3]oxazole;hydrochloride?
The IUPAC name of 2H-cyclopenta[d][1,3]oxazole;hydrochloride (CID 67750619) is 2H-cyclopenta[d][1,3]oxazole;hydrochloride.
What is the SMILES notation for 2H-cyclopenta[d][1,3]oxazole;hydrochloride?
The canonical SMILES for 2H-cyclopenta[d][1,3]oxazole;hydrochloride is C1=CC2=NCOC2=C1.Cl.
What is the InChIKey of 2H-cyclopenta[d][1,3]oxazole;hydrochloride?
The InChIKey is CEBCSWDZZIHVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO.ClH/c1-2-5-6(3-1)8-4-7-5;/h1-3H,4H2;1H.
What are the key properties of 2H-cyclopenta[d][1,3]oxazole;hydrochloride?
2H-cyclopenta[d][1,3]oxazole;hydrochloride has a molecular weight of 143.57 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-cyclopenta[d][1,3]oxazole;hydrochloride is sourced from PubChem (CID 67750619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).