2-[(1S)-1-chloroethyl]-5-(2,4-dichlorophenyl)-1,3-oxazole

C11H8Cl3NO — CID 93258000

IUPAC2-[(1S)-1-chloroethyl]-5-(2,4-dichlorophenyl)-1,3-oxazole
SMILESC[C@H](Cl)c1ncc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C11H8Cl3NO/c1-6(12)11-15-5-10(16-11)8-3-2-7(13)4-9(8)14/h2-6H,1H3/t6-/m0/s1
InChIKeyIPLDDVLMUCMFHS-LURJTMIESA-N
MW276.55 g/mol
LogP4.95
Rot. Bonds2

About 2-[(1S)-1-chloroethyl]-5-(2,4-dichlorophenyl)-1,3-oxazole

2-[(1S)-1-chloroethyl]-5-(2,4-dichlorophenyl)-1,3-oxazole (PubChem CID 93258000) has the molecular formula C11H8Cl3NO and a molecular weight of 276.55 g/mol. Its IUPAC name is 2-[(1S)-1-chloroethyl]-5-(2,4-dichlorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[(1S)-1-chloroethyl]-5-(2,4-dichlorophenyl)-1,3-oxazole
PubChem CID93258000
Molecular FormulaC11H8Cl3NO
Molecular Weight276.55 g/mol
Exact Mass274.97
IUPAC Name2-[(1S)-1-chloroethyl]-5-(2,4-dichlorophenyl)-1,3-oxazole
SMILESC[C@H](Cl)c1ncc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C11H8Cl3NO/c1-6(12)11-15-5-10(16-11)8-3-2-7(13)4-9(8)14/h2-6H,1H3/t6-/m0/s1
InChIKeyIPLDDVLMUCMFHS-LURJTMIESA-N
XLogP4.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.55
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2,4-dichlorophenyl)-2-propan-2-yl-1,3-oxazole
CID 58979708
2-[(1R)-1-chloroethyl]-5-(4-chlorophenyl)-1,3-oxazole
CID 93258003
5-(5-bromo-2-chlorophenyl)-2-(1-chloroethyl)-1,3-oxazole
CID 65179702
2-(1-chloroethyl)-5-(3-chloro-4-fluorophenyl)-1,3-oxazole
CID 43144224
5-(4-bromo-2-fluorophenyl)-2-(1-chloroethyl)-1,3-oxazole
CID 65179983
1-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179061
2-(1-chloroethyl)-5-(2-fluoro-4-methoxyphenyl)-1,3-oxazole
CID 102885537
2-(1-chloroethyl)-5-(2,6-dichlorophenyl)-1,3-oxazole
CID 65180218
5-[1-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]ethylamino]-1,3-dihydroindol-2-one
CID 119033531
5-(2-bromo-5-methoxyphenyl)-2-(1-chloroethyl)-1,3-oxazole
CID 65179645
5-(1-benzofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole
CID 65179468
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 65187402

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-chloroethyl]-5-(2,4-dichlorophenyl)-1,3-oxazole?
The IUPAC name of 2-[(1S)-1-chloroethyl]-5-(2,4-dichlorophenyl)-1,3-oxazole (CID 93258000) is 2-[(1S)-1-chloroethyl]-5-(2,4-dichlorophenyl)-1,3-oxazole.
What is the SMILES notation for 2-[(1S)-1-chloroethyl]-5-(2,4-dichlorophenyl)-1,3-oxazole?
The canonical SMILES for 2-[(1S)-1-chloroethyl]-5-(2,4-dichlorophenyl)-1,3-oxazole is C[C@H](Cl)c1ncc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 2-[(1S)-1-chloroethyl]-5-(2,4-dichlorophenyl)-1,3-oxazole?
The InChIKey is IPLDDVLMUCMFHS-LURJTMIESA-N. The full InChI is InChI=1S/C11H8Cl3NO/c1-6(12)11-15-5-10(16-11)8-3-2-7(13)4-9(8)14/h2-6H,1H3/t6-/m0/s1.
What are the key properties of 2-[(1S)-1-chloroethyl]-5-(2,4-dichlorophenyl)-1,3-oxazole?
2-[(1S)-1-chloroethyl]-5-(2,4-dichlorophenyl)-1,3-oxazole has a molecular weight of 276.55 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-chloroethyl]-5-(2,4-dichlorophenyl)-1,3-oxazole is sourced from PubChem (CID 93258000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).