3-chloro-5-methyl-1,2-oxazole;ethane

C6H10ClNO — CID 168950747

IUPAC3-chloro-5-methyl-1,2-oxazole;ethane
SMILESCC.Cc1cc(Cl)no1
InChIInChI=1S/C4H4ClNO.C2H6/c1-3-2-4(5)6-7-3;1-2/h2H,1H3;1-2H3
InChIKeyLRXYUABNOOTFCJ-UHFFFAOYSA-N
MW147.60 g/mol
LogP2.66
Rot. Bonds

About 3-chloro-5-methyl-1,2-oxazole;ethane

3-chloro-5-methyl-1,2-oxazole;ethane (PubChem CID 168950747) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is 3-chloro-5-methyl-1,2-oxazole;ethane.

Molecular Properties

Compound Name3-chloro-5-methyl-1,2-oxazole;ethane
PubChem CID168950747
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC Name3-chloro-5-methyl-1,2-oxazole;ethane
SMILESCC.Cc1cc(Cl)no1
InChIInChI=1S/C4H4ClNO.C2H6/c1-3-2-4(5)6-7-3;1-2/h2H,1H3;1-2H3
InChIKeyLRXYUABNOOTFCJ-UHFFFAOYSA-N
XLogP2.66
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-1,2-oxazole;ethane?
The IUPAC name of 3-chloro-5-methyl-1,2-oxazole;ethane (CID 168950747) is 3-chloro-5-methyl-1,2-oxazole;ethane.
What is the SMILES notation for 3-chloro-5-methyl-1,2-oxazole;ethane?
The canonical SMILES for 3-chloro-5-methyl-1,2-oxazole;ethane is CC.Cc1cc(Cl)no1.
What is the InChIKey of 3-chloro-5-methyl-1,2-oxazole;ethane?
The InChIKey is LRXYUABNOOTFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClNO.C2H6/c1-3-2-4(5)6-7-3;1-2/h2H,1H3;1-2H3.
What are the key properties of 3-chloro-5-methyl-1,2-oxazole;ethane?
3-chloro-5-methyl-1,2-oxazole;ethane has a molecular weight of 147.60 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-1,2-oxazole;ethane is sourced from PubChem (CID 168950747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).