2-(chloromethyl)thiophene;4,5-dihydro-1,3-oxazole

C8H10ClNOS — CID 174973521

IUPAC2-(chloromethyl)thiophene;4,5-dihydro-1,3-oxazole
SMILESC1=NCCO1.ClCc1cccs1
InChIInChI=1S/C5H5ClS.C3H5NO/c6-4-5-2-1-3-7-5;1-2-5-3-4-1/h1-3H,4H2;3H,1-2H2
InChIKeyUVJLDDYRKAXBGY-UHFFFAOYSA-N
MW203.69 g/mol
LogP2.53
Rot. Bonds1

About 2-(chloromethyl)thiophene;4,5-dihydro-1,3-oxazole

2-(chloromethyl)thiophene;4,5-dihydro-1,3-oxazole (PubChem CID 174973521) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is 2-(chloromethyl)thiophene;4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(chloromethyl)thiophene;4,5-dihydro-1,3-oxazole
PubChem CID174973521
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC Name2-(chloromethyl)thiophene;4,5-dihydro-1,3-oxazole
SMILESC1=NCCO1.ClCc1cccs1
InChIInChI=1S/C5H5ClS.C3H5NO/c6-4-5-2-1-3-7-5;1-2-5-3-4-1/h1-3H,4H2;3H,1-2H2
InChIKeyUVJLDDYRKAXBGY-UHFFFAOYSA-N
XLogP2.53
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 52.53
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

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CID 87275882
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2,3-dihydroinden-1-one;4,5-dihydro-1,3-oxazole
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2-(bromomethyl)thiophene
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1-chloro-3-thiophen-2-ylpropan-2-ol
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2-[(3,4-dichlorophenyl)methylsulfanylmethyl]thiophene
CID 5060586
4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
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3-(chloromethyl)-3-(thiophen-2-ylmethyl)oxolane
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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)thiophene;4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(chloromethyl)thiophene;4,5-dihydro-1,3-oxazole (CID 174973521) is 2-(chloromethyl)thiophene;4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(chloromethyl)thiophene;4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(chloromethyl)thiophene;4,5-dihydro-1,3-oxazole is C1=NCCO1.ClCc1cccs1.
What is the InChIKey of 2-(chloromethyl)thiophene;4,5-dihydro-1,3-oxazole?
The InChIKey is UVJLDDYRKAXBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClS.C3H5NO/c6-4-5-2-1-3-7-5;1-2-5-3-4-1/h1-3H,4H2;3H,1-2H2.
What are the key properties of 2-(chloromethyl)thiophene;4,5-dihydro-1,3-oxazole?
2-(chloromethyl)thiophene;4,5-dihydro-1,3-oxazole has a molecular weight of 203.69 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)thiophene;4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 174973521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).