2-chloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone

C11H14ClNO3 — CID 70235502

IUPAC2-chloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone
SMILESCC1(C)OC(c2ccco2)CN1C(=O)CCl
InChIInChI=1S/C11H14ClNO3/c1-11(2)13(10(14)6-12)7-9(16-11)8-4-3-5-15-8/h3-5,9H,6-7H2,1-2H3
InChIKeyOZWSJMSJVZHZKL-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.15
Rot. Bonds2

About 2-chloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone

2-chloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone (PubChem CID 70235502) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-chloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone
PubChem CID70235502
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name2-chloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone
SMILESCC1(C)OC(c2ccco2)CN1C(=O)CCl
InChIInChI=1S/C11H14ClNO3/c1-11(2)13(10(14)6-12)7-9(16-11)8-4-3-5-15-8/h3-5,9H,6-7H2,1-2H3
InChIKeyOZWSJMSJVZHZKL-UHFFFAOYSA-N
XLogP2.15
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.15
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

2,2-dichloro-N-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]acetamide
CID 151113956
2-(5,5-dimethyloxolan-2-yl)furan
CID 21036269
3-(4-bromo-2,6-dimethylphenyl)-3-chloro-8-methoxy-1-azaspiro[4.5]decane-2,4-dione;2,2-dichloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone
CID 11686232
2,2-dichloro-1-[5-(furan-2-yl)-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone
CID 139636542
1-amino-2-(furan-2-yl)cyclopropane-1-carboxylic acid
CID 55297115
2-chloro-1-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 7128484
methyl (3S,4S)-3-amino-4-(furan-2-yl)-1-methylpyrrolidine-3-carboxylate
CID 101485189
methyl (3S,4R)-3-amino-4-(furan-2-yl)-1-methylpyrrolidine-3-carboxylate
CID 101485192
2-chloro-1-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]ethanone
CID 2405166
N-[4-[(3R)-2-(2-chloroacetyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 30886614
ethyl 3-(furan-2-yl)-2-methyloxirane-2-carboxylate
CID 13177121
2-chloro-1-[3-(furan-2-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 56807124

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone?
The IUPAC name of 2-chloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone (CID 70235502) is 2-chloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone?
The canonical SMILES for 2-chloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone is CC1(C)OC(c2ccco2)CN1C(=O)CCl.
What is the InChIKey of 2-chloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone?
The InChIKey is OZWSJMSJVZHZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-11(2)13(10(14)6-12)7-9(16-11)8-4-3-5-15-8/h3-5,9H,6-7H2,1-2H3.
What are the key properties of 2-chloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone?
2-chloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone has a molecular weight of 243.69 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone is sourced from PubChem (CID 70235502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).