6-(4-chlorophenoxy)-2-[4-(2-methoxyethyl)phenyl]-1,3-benzoxazole

C22H18ClNO3 — CID 72945603

IUPAC6-(4-chlorophenoxy)-2-[4-(2-methoxyethyl)phenyl]-1,3-benzoxazole
SMILESCOCCc1ccc(-c2nc3ccc(Oc4ccc(Cl)cc4)cc3o2)cc1
InChIInChI=1S/C22H18ClNO3/c1-25-13-12-15-2-4-16(5-3-15)22-24-20-11-10-19(14-21(20)27-22)26-18-8-6-17(23)7-9-18/h2-11,14H,12-13H2,1H3
InChIKeyMEEDHWJJCMSHKO-UHFFFAOYSA-N
MW379.84 g/mol
LogP6.13
Rot. Bonds6

About 6-(4-chlorophenoxy)-2-[4-(2-methoxyethyl)phenyl]-1,3-benzoxazole

6-(4-chlorophenoxy)-2-[4-(2-methoxyethyl)phenyl]-1,3-benzoxazole (PubChem CID 72945603) has the molecular formula C22H18ClNO3 and a molecular weight of 379.84 g/mol. Its IUPAC name is 6-(4-chlorophenoxy)-2-[4-(2-methoxyethyl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-(4-chlorophenoxy)-2-[4-(2-methoxyethyl)phenyl]-1,3-benzoxazole
PubChem CID72945603
Molecular FormulaC22H18ClNO3
Molecular Weight379.84 g/mol
Exact Mass379.10
IUPAC Name6-(4-chlorophenoxy)-2-[4-(2-methoxyethyl)phenyl]-1,3-benzoxazole
SMILESCOCCc1ccc(-c2nc3ccc(Oc4ccc(Cl)cc4)cc3o2)cc1
InChIInChI=1S/C22H18ClNO3/c1-25-13-12-15-2-4-16(5-3-15)22-24-20-11-10-19(14-21(20)27-22)26-18-8-6-17(23)7-9-18/h2-11,14H,12-13H2,1H3
InChIKeyMEEDHWJJCMSHKO-UHFFFAOYSA-N
XLogP6.13
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.84
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-Hydroxynaphthalen-1-yl)benzo(d)oxazol-6-ol
CID 10062042
2-(2-Adamantylidenemethyl)-1,3-benzoxazol-6-ol
CID 22733402
2-(6-Hydroxynaphthalen-2-yl)benzo[d]oxazol-6-ol
CID 135449109
2-(4-Hydroxyphenyl)benzo[d]oxazol-6-ol
CID 135471161
5-Chloro-2-(4-hydroxy-phenyl)-benzooxazol-6-ol
CID 135495079
2-(3-Chloro-4-hydroxy-phenyl)-benzooxazol-6-ol
CID 135496133
Benzoxazole, 5-chloro-2-phenyl-
CID 773072
2-Naphthalen-1-yl-benzooxazol-6-ol
CID 10244394
4-[(E)-2-[4-[6-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]aniline
CID 25211658
4-[(E)-2-[4-[6-(3-fluoropropoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]aniline
CID 25211660
4-[(E)-2-[4-[6-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N-methylaniline
CID 25211866
4-[(E)-2-[4-[6-(3-fluoropropoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N-methylaniline
CID 25211868

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenoxy)-2-[4-(2-methoxyethyl)phenyl]-1,3-benzoxazole?
The IUPAC name of 6-(4-chlorophenoxy)-2-[4-(2-methoxyethyl)phenyl]-1,3-benzoxazole (CID 72945603) is 6-(4-chlorophenoxy)-2-[4-(2-methoxyethyl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 6-(4-chlorophenoxy)-2-[4-(2-methoxyethyl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 6-(4-chlorophenoxy)-2-[4-(2-methoxyethyl)phenyl]-1,3-benzoxazole is COCCc1ccc(-c2nc3ccc(Oc4ccc(Cl)cc4)cc3o2)cc1.
What is the InChIKey of 6-(4-chlorophenoxy)-2-[4-(2-methoxyethyl)phenyl]-1,3-benzoxazole?
The InChIKey is MEEDHWJJCMSHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO3/c1-25-13-12-15-2-4-16(5-3-15)22-24-20-11-10-19(14-21(20)27-22)26-18-8-6-17(23)7-9-18/h2-11,14H,12-13H2,1H3.
What are the key properties of 6-(4-chlorophenoxy)-2-[4-(2-methoxyethyl)phenyl]-1,3-benzoxazole?
6-(4-chlorophenoxy)-2-[4-(2-methoxyethyl)phenyl]-1,3-benzoxazole has a molecular weight of 379.84 g/mol, XLogP of 6.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenoxy)-2-[4-(2-methoxyethyl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 72945603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).