3-(2-chlorophenyl)-5-methyl-1,2-oxazole;ethane

C14H20ClNO — CID 143409135

IUPAC3-(2-chlorophenyl)-5-methyl-1,2-oxazole;ethane
SMILESCC.CC.Cc1cc(-c2ccccc2Cl)no1
InChIInChI=1S/C10H8ClNO.2C2H6/c1-7-6-10(12-13-7)8-4-2-3-5-9(8)11;2*1-2/h2-6H,1H3;2*1-2H3
InChIKeyTUCTUZFDHODPIX-UHFFFAOYSA-N
MW253.77 g/mol
LogP5.36
Rot. Bonds1

About 3-(2-chlorophenyl)-5-methyl-1,2-oxazole;ethane

3-(2-chlorophenyl)-5-methyl-1,2-oxazole;ethane (PubChem CID 143409135) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-1,2-oxazole;ethane.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-1,2-oxazole;ethane
PubChem CID143409135
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-(2-chlorophenyl)-5-methyl-1,2-oxazole;ethane
SMILESCC.CC.Cc1cc(-c2ccccc2Cl)no1
InChIInChI=1S/C10H8ClNO.2C2H6/c1-7-6-10(12-13-7)8-4-2-3-5-9(8)11;2*1-2/h2-6H,1H3;2*1-2H3
InChIKeyTUCTUZFDHODPIX-UHFFFAOYSA-N
XLogP5.36
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.77
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-(2-chlorophenyl)-1,2-oxazole
CID 84709526
3-(2-chlorophenyl)-5-fluoro-1,2-oxazole
CID 142772559
3-(2-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazole
CID 173191534
3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole
CID 67512216
3-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-5-methyl-1,2-oxazole
CID 170994469
carbonyl dichloride;3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole
CID 21394179
5-(chloromethyl)-3-(3-chloro-2-methylphenyl)-1,2-oxazole
CID 166596910
3-[2-(3,3-dimethylbutoxy)phenyl]-5-methyl-1,2-oxazole
CID 70807935
N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine
CID 72930406
5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66198805
5-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-3-phenyl-1,2,4-oxadiazole
CID 71425543
2-chloro-4-(2-chlorophenyl)-6-methylpyrimidine
CID 79073157

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-1,2-oxazole;ethane?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-1,2-oxazole;ethane (CID 143409135) is 3-(2-chlorophenyl)-5-methyl-1,2-oxazole;ethane.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-1,2-oxazole;ethane?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-1,2-oxazole;ethane is CC.CC.Cc1cc(-c2ccccc2Cl)no1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-1,2-oxazole;ethane?
The InChIKey is TUCTUZFDHODPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO.2C2H6/c1-7-6-10(12-13-7)8-4-2-3-5-9(8)11;2*1-2/h2-6H,1H3;2*1-2H3.
What are the key properties of 3-(2-chlorophenyl)-5-methyl-1,2-oxazole;ethane?
3-(2-chlorophenyl)-5-methyl-1,2-oxazole;ethane has a molecular weight of 253.77 g/mol, XLogP of 5.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-1,2-oxazole;ethane is sourced from PubChem (CID 143409135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).