[2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl] formate

C14H7Cl2NO3 — CID 175400486

IUPAC[2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl] formate
SMILESO=COc1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1
InChIInChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)5-9)14-17-12-2-1-11(19-7-18)6-13(12)20-14/h1-7H
InChIKeyOYHWRFUBWIMNMR-UHFFFAOYSA-N
MW308.12 g/mol
LogP4.34
Rot. Bonds3

About [2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl] formate

[2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl] formate (PubChem CID 175400486) has the molecular formula C14H7Cl2NO3 and a molecular weight of 308.12 g/mol. Its IUPAC name is [2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl] formate.

Molecular Properties

Compound Name[2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl] formate
PubChem CID175400486
Molecular FormulaC14H7Cl2NO3
Molecular Weight308.12 g/mol
Exact Mass306.98
IUPAC Name[2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl] formate
SMILESO=COc1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1
InChIInChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)5-9)14-17-12-2-1-11(19-7-18)6-13(12)20-14/h1-7H
InChIKeyOYHWRFUBWIMNMR-UHFFFAOYSA-N
XLogP4.34
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide
CID 167448203
2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane
CID 166119017
6-butyl-2-(3,5-dichlorophenyl)-1,3-benzoxazole
CID 163207320
2-(4-chlorophenyl)-1,3-benzoxazole-6-carbaldehyde
CID 12703739
3-aminopropyl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate;hydrochloride
CID 156813816
2-(2-hydroxyethoxy)ethyl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate
CID 172990334
[2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 167448268
6-(4-chlorophenoxy)-2-[4-(3-chloropropoxy)phenyl]-1,3-benzoxazole
CID 142715895
3-(dimethylamino)propyl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate
CID 156813877
2-(diethylamino)ethyl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate
CID 156813790
2-(3,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole
CID 91678574
methyl (E)-3-[4-[6-(4-chlorophenoxy)-1,3-benzoxazol-2-yl]phenyl]prop-2-enoate
CID 142715971

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl] formate?
The IUPAC name of [2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl] formate (CID 175400486) is [2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl] formate.
What is the SMILES notation for [2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl] formate?
The canonical SMILES for [2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl] formate is O=COc1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1.
What is the InChIKey of [2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl] formate?
The InChIKey is OYHWRFUBWIMNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)5-9)14-17-12-2-1-11(19-7-18)6-13(12)20-14/h1-7H.
What are the key properties of [2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl] formate?
[2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl] formate has a molecular weight of 308.12 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl] formate is sourced from PubChem (CID 175400486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).