5-chloro-2-(2-methylpropyl)-1,3-oxazole

C7H10ClNO — CID 117258881

IUPAC5-chloro-2-(2-methylpropyl)-1,3-oxazole
SMILESCC(C)Cc1ncc(Cl)o1
InChIInChI=1S/C7H10ClNO/c1-5(2)3-7-9-4-6(8)10-7/h4-5H,3H2,1-2H3
InChIKeyOSYLVZPGFOSHTL-UHFFFAOYSA-N
MW159.62 g/mol
LogP2.53
Rot. Bonds2

About 5-chloro-2-(2-methylpropyl)-1,3-oxazole

5-chloro-2-(2-methylpropyl)-1,3-oxazole (PubChem CID 117258881) has the molecular formula C7H10ClNO and a molecular weight of 159.62 g/mol. Its IUPAC name is 5-chloro-2-(2-methylpropyl)-1,3-oxazole.

Molecular Properties

Compound Name5-chloro-2-(2-methylpropyl)-1,3-oxazole
PubChem CID117258881
Molecular FormulaC7H10ClNO
Molecular Weight159.62 g/mol
Exact Mass159.05
IUPAC Name5-chloro-2-(2-methylpropyl)-1,3-oxazole
SMILESCC(C)Cc1ncc(Cl)o1
InChIInChI=1S/C7H10ClNO/c1-5(2)3-7-9-4-6(8)10-7/h4-5H,3H2,1-2H3
InChIKeyOSYLVZPGFOSHTL-UHFFFAOYSA-N
XLogP2.53
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methylpropyl)-1,3-oxazole?
The IUPAC name of 5-chloro-2-(2-methylpropyl)-1,3-oxazole (CID 117258881) is 5-chloro-2-(2-methylpropyl)-1,3-oxazole.
What is the SMILES notation for 5-chloro-2-(2-methylpropyl)-1,3-oxazole?
The canonical SMILES for 5-chloro-2-(2-methylpropyl)-1,3-oxazole is CC(C)Cc1ncc(Cl)o1.
What is the InChIKey of 5-chloro-2-(2-methylpropyl)-1,3-oxazole?
The InChIKey is OSYLVZPGFOSHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO/c1-5(2)3-7-9-4-6(8)10-7/h4-5H,3H2,1-2H3.
What are the key properties of 5-chloro-2-(2-methylpropyl)-1,3-oxazole?
5-chloro-2-(2-methylpropyl)-1,3-oxazole has a molecular weight of 159.62 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methylpropyl)-1,3-oxazole is sourced from PubChem (CID 117258881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).