methyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate

C10H8ClNO3 — CID 66912251

IUPACmethyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate
SMILESCOC(=O)Cc1ccc2oc(Cl)nc2c1
InChIInChI=1S/C10H8ClNO3/c1-14-9(13)5-6-2-3-8-7(4-6)12-10(11)15-8/h2-4H,5H2,1H3
InChIKeyFLPVHMOPFRYKCQ-UHFFFAOYSA-N
MW225.63 g/mol
LogP2.20
Rot. Bonds2

About methyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate

methyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate (PubChem CID 66912251) has the molecular formula C10H8ClNO3 and a molecular weight of 225.63 g/mol. Its IUPAC name is methyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate
PubChem CID66912251
Molecular FormulaC10H8ClNO3
Molecular Weight225.63 g/mol
Exact Mass225.02
IUPAC Namemethyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate
SMILESCOC(=O)Cc1ccc2oc(Cl)nc2c1
InChIInChI=1S/C10H8ClNO3/c1-14-9(13)5-6-2-3-8-7(4-6)12-10(11)15-8/h2-4H,5H2,1H3
InChIKeyFLPVHMOPFRYKCQ-UHFFFAOYSA-N
XLogP2.20
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-methoxy-2-oxoethyl)-1,3-benzoxazole-2-carboxylic acid
CID 77231209
2-chloro-5-(2-methoxyethyl)-1,3-benzoxazole
CID 62369370
methyl 2-(2-bromo-1-benzofuran-5-yl)acetate
CID 71247269
1-(2-chloro-1,3-benzoxazol-5-yl)-2-methoxyethanone
CID 166871952
2-chloro-N-(2-methoxyethyl)-1,3-benzoxazole-5-carboxamide
CID 100786779
methyl 2-(2-amino-1,3-benzothiazol-5-yl)acetate
CID 59519154
methyl 2-(5-amino-1,3-benzoxazol-2-yl)acetate
CID 131332887
methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]acetate
CID 115232907
2-[2-fluoro-4-[5-(2-methoxy-2-oxoethyl)-1,3-benzoxazol-2-yl]phenyl]prop-2-enoic acid
CID 142897974
methyl 2-(2-sulfamoyl-1,3-benzoxazol-6-yl)acetate
CID 165353850
methyl 2-(3-chloro-4-formylphenyl)acetate
CID 59520437
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate?
The IUPAC name of methyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate (CID 66912251) is methyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate.
What is the SMILES notation for methyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate?
The canonical SMILES for methyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate is COC(=O)Cc1ccc2oc(Cl)nc2c1.
What is the InChIKey of methyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate?
The InChIKey is FLPVHMOPFRYKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3/c1-14-9(13)5-6-2-3-8-7(4-6)12-10(11)15-8/h2-4H,5H2,1H3.
What are the key properties of methyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate?
methyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate has a molecular weight of 225.63 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate is sourced from PubChem (CID 66912251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).