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

C10H8ClNO2 — CID 135996985

IUPAC(Z)-1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol
SMILESC/C(O)=C/c1nc2cc(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/b6-4-
InChIKeyGPEKAUNTZLZYDR-XQRVVYSFSA-N
MW209.63 g/mol
LogP3.40
Rot. Bonds1

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

(Z)-1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol (PubChem CID 135996985) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is (Z)-1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol.

Molecular Properties

Compound Name(Z)-1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol
PubChem CID135996985
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name(Z)-1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol
SMILESC/C(O)=C/c1nc2cc(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/b6-4-
InChIKeyGPEKAUNTZLZYDR-XQRVVYSFSA-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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Related Compounds

1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol
CID 136755171
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
5-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazole
CID 6214674
O-methyl 5-chloro-1,3-benzoxazole-2-carbothioate
CID 119089889
5-chloro-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-1,3-benzoxazole
CID 4884473
5-chloro-2-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzoxazole
CID 25474793
5-chloro-2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 52643423
(E)-3-(6-chloro-4-oxo-3,1-benzoxazin-2-yl)-2-methylprop-2-enoic acid
CID 66737259
5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
CID 827452
2-(2,2-diphenylethenyl)-5-methyl-1,3-benzoxazole
CID 122223407
2-(2-methylprop-1-enyl)-5-nitro-1,3-benzoxazole
CID 177389035
5-chloro-2-(1-chloroethyl)-1,3-benzoxazole
CID 43115623

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol?
The IUPAC name of (Z)-1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol (CID 135996985) is (Z)-1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol.
What is the SMILES notation for (Z)-1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol?
The canonical SMILES for (Z)-1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol is C/C(O)=C/c1nc2cc(Cl)ccc2o1.
What is the InChIKey of (Z)-1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol?
The InChIKey is GPEKAUNTZLZYDR-XQRVVYSFSA-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/b6-4-.
What are the key properties of (Z)-1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol?
(Z)-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 (Z)-1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol is sourced from PubChem (CID 135996985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).