(3,4-dichlorophenyl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate

C16H11Cl2NO4 — CID 7401044

IUPAC(3,4-dichlorophenyl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESO=C(Cn1c(=O)oc2ccccc21)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl2NO4/c17-11-6-5-10(7-12(11)18)9-22-15(20)8-19-13-3-1-2-4-14(13)23-16(19)21/h1-7H,8-9H2
InChIKeyOSMNQILSRKDSEU-UHFFFAOYSA-N
MW352.17 g/mol
LogP3.64
Rot. Bonds4

About (3,4-dichlorophenyl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate

(3,4-dichlorophenyl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate (PubChem CID 7401044) has the molecular formula C16H11Cl2NO4 and a molecular weight of 352.17 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
PubChem CID7401044
Molecular FormulaC16H11Cl2NO4
Molecular Weight352.17 g/mol
Exact Mass351.01
IUPAC Name(3,4-dichlorophenyl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESO=C(Cn1c(=O)oc2ccccc21)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl2NO4/c17-11-6-5-10(7-12(11)18)9-22-15(20)8-19-13-3-1-2-4-14(13)23-16(19)21/h1-7H,8-9H2
InChIKeyOSMNQILSRKDSEU-UHFFFAOYSA-N
XLogP3.64
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.17
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 24521349
(3-hydroxyphenyl)methyl 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 121403491
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 34702117
[2-(3,4-dichlorophenyl)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 9380892
[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 43026362
(1,3-dioxoisoindol-2-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400824
phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 3605071
(4-bromophenyl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8725724
[2-(2,4-dihydroxyphenyl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 35423058
[2-(4-chloro-3-nitroanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401470
1-(2-chlorophenyl)ethyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 18277911
(7-bromo-2-oxochromen-4-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 55310867

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The IUPAC name of (3,4-dichlorophenyl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate (CID 7401044) is (3,4-dichlorophenyl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The canonical SMILES for (3,4-dichlorophenyl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate is O=C(Cn1c(=O)oc2ccccc21)OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The InChIKey is OSMNQILSRKDSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO4/c17-11-6-5-10(7-12(11)18)9-22-15(20)8-19-13-3-1-2-4-14(13)23-16(19)21/h1-7H,8-9H2.
What are the key properties of (3,4-dichlorophenyl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
(3,4-dichlorophenyl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate has a molecular weight of 352.17 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate is sourced from PubChem (CID 7401044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).