4-(1,3-benzoxazol-2-yl)-2-chlorobenzoyl chloride

C14H7Cl2NO2 — CID 20556598

IUPAC4-(1,3-benzoxazol-2-yl)-2-chlorobenzoyl chloride
SMILESO=C(Cl)c1ccc(-c2nc3ccccc3o2)cc1Cl
InChIInChI=1S/C14H7Cl2NO2/c15-10-7-8(5-6-9(10)13(16)18)14-17-11-3-1-2-4-12(11)19-14/h1-7H
InChIKeyRCNRUBNQUNPIHK-UHFFFAOYSA-N
MW292.12 g/mol
LogP4.53
Rot. Bonds2

About 4-(1,3-benzoxazol-2-yl)-2-chlorobenzoyl chloride

4-(1,3-benzoxazol-2-yl)-2-chlorobenzoyl chloride (PubChem CID 20556598) has the molecular formula C14H7Cl2NO2 and a molecular weight of 292.12 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-2-chlorobenzoyl chloride.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-2-chlorobenzoyl chloride
PubChem CID20556598
Molecular FormulaC14H7Cl2NO2
Molecular Weight292.12 g/mol
Exact Mass290.99
IUPAC Name4-(1,3-benzoxazol-2-yl)-2-chlorobenzoyl chloride
SMILESO=C(Cl)c1ccc(-c2nc3ccccc3o2)cc1Cl
InChIInChI=1S/C14H7Cl2NO2/c15-10-7-8(5-6-9(10)13(16)18)14-17-11-3-1-2-4-12(11)19-14/h1-7H
InChIKeyRCNRUBNQUNPIHK-UHFFFAOYSA-N
XLogP4.53
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-(3,4,5-trichlorophenyl)-1,3-benzoxazole
CID 50849649
4-(1,3-benzoxazol-2-yl)-2,5-dihydroxybenzoyl chloride
CID 136740250
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide
CID 3968196
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-chloropropanamide
CID 3129789
4-(1,3-benzoxazol-2-yl)-2-(3-hydroxyphenyl)benzoic acid
CID 70478884
N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,4-dichlorobenzamide
CID 2183818
carbonyl difluoride;2-phenyl-1,3-benzoxazole
CID 158063385
2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole
CID 166583056
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-2-cyanoacetamide
CID 168522165
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide
CID 779025
3-(1,3-benzoxazol-2-yl)benzamide
CID 21105138

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-2-chlorobenzoyl chloride?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-2-chlorobenzoyl chloride (CID 20556598) is 4-(1,3-benzoxazol-2-yl)-2-chlorobenzoyl chloride.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-2-chlorobenzoyl chloride?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-2-chlorobenzoyl chloride is O=C(Cl)c1ccc(-c2nc3ccccc3o2)cc1Cl.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-2-chlorobenzoyl chloride?
The InChIKey is RCNRUBNQUNPIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2NO2/c15-10-7-8(5-6-9(10)13(16)18)14-17-11-3-1-2-4-12(11)19-14/h1-7H.
What are the key properties of 4-(1,3-benzoxazol-2-yl)-2-chlorobenzoyl chloride?
4-(1,3-benzoxazol-2-yl)-2-chlorobenzoyl chloride has a molecular weight of 292.12 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-yl)-2-chlorobenzoyl chloride is sourced from PubChem (CID 20556598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).