7-chloro-2-ethyl-1,3-benzoxazole;ethane

C11H14ClNO — CID 145422822

IUPAC7-chloro-2-ethyl-1,3-benzoxazole;ethane
SMILESCC.CCc1nc2cccc(Cl)c2o1
InChIInChI=1S/C9H8ClNO.C2H6/c1-2-8-11-7-5-3-4-6(10)9(7)12-8;1-2/h3-5H,2H2,1H3;1-2H3
InChIKeyPDNPVHRVAXWRSB-UHFFFAOYSA-N
MW211.69 g/mol
LogP4.07
Rot. Bonds1

About 7-chloro-2-ethyl-1,3-benzoxazole;ethane

7-chloro-2-ethyl-1,3-benzoxazole;ethane (PubChem CID 145422822) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 7-chloro-2-ethyl-1,3-benzoxazole;ethane.

Molecular Properties

Compound Name7-chloro-2-ethyl-1,3-benzoxazole;ethane
PubChem CID145422822
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name7-chloro-2-ethyl-1,3-benzoxazole;ethane
SMILESCC.CCc1nc2cccc(Cl)c2o1
InChIInChI=1S/C9H8ClNO.C2H6/c1-2-8-11-7-5-3-4-6(10)9(7)12-8;1-2/h3-5H,2H2,1H3;1-2H3
InChIKeyPDNPVHRVAXWRSB-UHFFFAOYSA-N
XLogP4.07
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-chloro-2-ethyl-1,3-benzoxazole;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethyl-1,3-benzoxazole;ethane?
The IUPAC name of 7-chloro-2-ethyl-1,3-benzoxazole;ethane (CID 145422822) is 7-chloro-2-ethyl-1,3-benzoxazole;ethane.
What is the SMILES notation for 7-chloro-2-ethyl-1,3-benzoxazole;ethane?
The canonical SMILES for 7-chloro-2-ethyl-1,3-benzoxazole;ethane is CC.CCc1nc2cccc(Cl)c2o1.
What is the InChIKey of 7-chloro-2-ethyl-1,3-benzoxazole;ethane?
The InChIKey is PDNPVHRVAXWRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO.C2H6/c1-2-8-11-7-5-3-4-6(10)9(7)12-8;1-2/h3-5H,2H2,1H3;1-2H3.
What are the key properties of 7-chloro-2-ethyl-1,3-benzoxazole;ethane?
7-chloro-2-ethyl-1,3-benzoxazole;ethane has a molecular weight of 211.69 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethyl-1,3-benzoxazole;ethane is sourced from PubChem (CID 145422822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).