6-(5-phenoxy-3-pyridinyl)-3H-1,3-benzoxazol-2-one

C18H12N2O3 — CID 170266350

IUPAC6-(5-phenoxy-3-pyridinyl)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc2o1
InChIInChI=1S/C18H12N2O3/c21-18-20-16-7-6-12(9-17(16)23-18)13-8-15(11-19-10-13)22-14-4-2-1-3-5-14/h1-11H,(H,20,21)
InChIKeyCMJPVBPFUPVBCL-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.98
Rot. Bonds3

About 6-(5-phenoxy-3-pyridinyl)-3H-1,3-benzoxazol-2-one

6-(5-phenoxy-3-pyridinyl)-3H-1,3-benzoxazol-2-one (PubChem CID 170266350) has the molecular formula C18H12N2O3 and a molecular weight of 304.31 g/mol. Its IUPAC name is 6-(5-phenoxy-3-pyridinyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(5-phenoxy-3-pyridinyl)-3H-1,3-benzoxazol-2-one
PubChem CID170266350
Molecular FormulaC18H12N2O3
Molecular Weight304.31 g/mol
Exact Mass304.08
IUPAC Name6-(5-phenoxy-3-pyridinyl)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc2o1
InChIInChI=1S/C18H12N2O3/c21-18-20-16-7-6-12(9-17(16)23-18)13-8-15(11-19-10-13)22-14-4-2-1-3-5-14/h1-11H,(H,20,21)
InChIKeyCMJPVBPFUPVBCL-UHFFFAOYSA-N
XLogP3.98
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-pyridin-3-yl-3H-1,3-benzoxazol-2-one
CID 58255623
6-[5-(pyridin-2-ylamino)-3-pyridinyl]-3H-1,3-benzoxazol-2-one
CID 170266343
5-(5-phenoxy-3-pyridinyl)-2H-indazole-3-carbaldehyde
CID 123604961
4-(2-oxo-3H-1,3-benzoxazol-6-yl)benzoic acid
CID 22730479
5-chloro-6-phenoxy-3H-1,3-benzoxazol-2-one
CID 13477438
6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one
CID 22693688
6-(2-methylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one
CID 116869188
3-(2-oxo-3H-1,3-benzoxazol-6-yl)-1H-pyrazole-5-carbaldehyde
CID 84761476
5-(5-phenoxy-3-pyridinyl)-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450561
N-(1,3-benzodioxol-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89451156
5-pyridin-4-yl-3H-1,3-benzoxazol-2-one
CID 12851329
5-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-3H-1,3-benzoxazol-2-one
CID 44545185

Frequently Asked Questions

What is the IUPAC name of 6-(5-phenoxy-3-pyridinyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(5-phenoxy-3-pyridinyl)-3H-1,3-benzoxazol-2-one (CID 170266350) is 6-(5-phenoxy-3-pyridinyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(5-phenoxy-3-pyridinyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(5-phenoxy-3-pyridinyl)-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc2o1.
What is the InChIKey of 6-(5-phenoxy-3-pyridinyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is CMJPVBPFUPVBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3/c21-18-20-16-7-6-12(9-17(16)23-18)13-8-15(11-19-10-13)22-14-4-2-1-3-5-14/h1-11H,(H,20,21).
What are the key properties of 6-(5-phenoxy-3-pyridinyl)-3H-1,3-benzoxazol-2-one?
6-(5-phenoxy-3-pyridinyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 304.31 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-phenoxy-3-pyridinyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 170266350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).