1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol

C10H8ClNO2 — CID 136755171

IUPAC1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol
SMILESCC(O)=Cc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C10H8ClNO2/c1-6(13)4-10-12-8-5-7(11)2-3-9(8)14-10/h2-5,13H,1H3
InChIKeyGPEKAUNTZLZYDR-UHFFFAOYSA-N
MW209.63 g/mol
LogP3.40
Rot. Bonds1

About 1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol

1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol (PubChem CID 136755171) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol.

Molecular Properties

Compound Name1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol
PubChem CID136755171
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol
SMILESCC(O)=Cc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C10H8ClNO2/c1-6(13)4-10-12-8-5-7(11)2-3-9(8)14-10/h2-5,13H,1H3
InChIKeyGPEKAUNTZLZYDR-UHFFFAOYSA-N
XLogP3.40
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol?
The IUPAC name of 1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol (CID 136755171) is 1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol.
What is the SMILES notation for 1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol?
The canonical SMILES for 1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol is CC(O)=Cc1nc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol?
The InChIKey is GPEKAUNTZLZYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-6(13)4-10-12-8-5-7(11)2-3-9(8)14-10/h2-5,13H,1H3.
What are the key properties of 1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol?
1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol has a molecular weight of 209.63 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol is sourced from PubChem (CID 136755171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).