(3-hydroxyphenyl)methyl 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetate

C16H12ClNO5 — CID 121403491

IUPAC(3-hydroxyphenyl)methyl 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESO=C(Cn1c(=O)oc2cc(Cl)ccc21)OCc1cccc(O)c1
InChIInChI=1S/C16H12ClNO5/c17-11-4-5-13-14(7-11)23-16(21)18(13)8-15(20)22-9-10-2-1-3-12(19)6-10/h1-7,19H,8-9H2
InChIKeyICHKLHIDQQVZRA-UHFFFAOYSA-N
MW333.73 g/mol
LogP2.70
Rot. Bonds4

About (3-hydroxyphenyl)methyl 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetate

(3-hydroxyphenyl)methyl 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetate (PubChem CID 121403491) has the molecular formula C16H12ClNO5 and a molecular weight of 333.73 g/mol. Its IUPAC name is (3-hydroxyphenyl)methyl 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Name(3-hydroxyphenyl)methyl 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetate
PubChem CID121403491
Molecular FormulaC16H12ClNO5
Molecular Weight333.73 g/mol
Exact Mass333.04
IUPAC Name(3-hydroxyphenyl)methyl 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESO=C(Cn1c(=O)oc2cc(Cl)ccc21)OCc1cccc(O)c1
InChIInChI=1S/C16H12ClNO5/c17-11-4-5-13-14(7-11)23-16(21)18(13)8-15(20)22-9-10-2-1-3-12(19)6-10/h1-7,19H,8-9H2
InChIKeyICHKLHIDQQVZRA-UHFFFAOYSA-N
XLogP2.70
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.73
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)methyl 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetate?
The IUPAC name of (3-hydroxyphenyl)methyl 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetate (CID 121403491) is (3-hydroxyphenyl)methyl 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetate.
What is the SMILES notation for (3-hydroxyphenyl)methyl 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetate?
The canonical SMILES for (3-hydroxyphenyl)methyl 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetate is O=C(Cn1c(=O)oc2cc(Cl)ccc21)OCc1cccc(O)c1.
What is the InChIKey of (3-hydroxyphenyl)methyl 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetate?
The InChIKey is ICHKLHIDQQVZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO5/c17-11-4-5-13-14(7-11)23-16(21)18(13)8-15(20)22-9-10-2-1-3-12(19)6-10/h1-7,19H,8-9H2.
What are the key properties of (3-hydroxyphenyl)methyl 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetate?
(3-hydroxyphenyl)methyl 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetate has a molecular weight of 333.73 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)methyl 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetate is sourced from PubChem (CID 121403491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).