2-tert-butyl-7-chloro-1,3-benzoxazole

C11H12ClNO — CID 119084711

IUPAC2-tert-butyl-7-chloro-1,3-benzoxazole
SMILESCC(C)(C)c1nc2cccc(Cl)c2o1
InChIInChI=1S/C11H12ClNO/c1-11(2,3)10-13-8-6-4-5-7(12)9(8)14-10/h4-6H,1-3H3
InChIKeyXRLNCKRTCPJDMC-UHFFFAOYSA-N
MW209.68 g/mol
LogP3.78
Rot. Bonds

About 2-tert-butyl-7-chloro-1,3-benzoxazole

2-tert-butyl-7-chloro-1,3-benzoxazole (PubChem CID 119084711) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-tert-butyl-7-chloro-1,3-benzoxazole.

Molecular Properties

Compound Name2-tert-butyl-7-chloro-1,3-benzoxazole
PubChem CID119084711
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name2-tert-butyl-7-chloro-1,3-benzoxazole
SMILESCC(C)(C)c1nc2cccc(Cl)c2o1
InChIInChI=1S/C11H12ClNO/c1-11(2,3)10-13-8-6-4-5-7(12)9(8)14-10/h4-6H,1-3H3
InChIKeyXRLNCKRTCPJDMC-UHFFFAOYSA-N
XLogP3.78
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-chloro-1,3-benzoxazole?
The IUPAC name of 2-tert-butyl-7-chloro-1,3-benzoxazole (CID 119084711) is 2-tert-butyl-7-chloro-1,3-benzoxazole.
What is the SMILES notation for 2-tert-butyl-7-chloro-1,3-benzoxazole?
The canonical SMILES for 2-tert-butyl-7-chloro-1,3-benzoxazole is CC(C)(C)c1nc2cccc(Cl)c2o1.
What is the InChIKey of 2-tert-butyl-7-chloro-1,3-benzoxazole?
The InChIKey is XRLNCKRTCPJDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-11(2,3)10-13-8-6-4-5-7(12)9(8)14-10/h4-6H,1-3H3.
What are the key properties of 2-tert-butyl-7-chloro-1,3-benzoxazole?
2-tert-butyl-7-chloro-1,3-benzoxazole has a molecular weight of 209.68 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-chloro-1,3-benzoxazole is sourced from PubChem (CID 119084711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).