6-[4-(4-methoxyphenyl)-6-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one

C27H19N3O5 — CID 44722488

IUPAC6-[4-(4-methoxyphenyl)-6-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one
SMILESCOc1ccc(-c2cc(-c3ccc4c(c3)NC(=O)CO4)nc(-c3ccc4oc(=O)[nH]c4c3)c2)cc1
InChIInChI=1S/C27H19N3O5/c1-33-19-6-2-15(3-7-19)18-12-20(16-4-8-24-22(10-16)29-26(31)14-34-24)28-21(13-18)17-5-9-25-23(11-17)30-27(32)35-25/h2-13H,14H2,1H3,(H,29,31)(H,30,32)
InChIKeyIDMOGHOXOOXDNT-UHFFFAOYSA-N
MW465.47 g/mol
LogP4.86
Rot. Bonds4

About 6-[4-(4-methoxyphenyl)-6-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one

6-[4-(4-methoxyphenyl)-6-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one (PubChem CID 44722488) has the molecular formula C27H19N3O5 and a molecular weight of 465.47 g/mol. Its IUPAC name is 6-[4-(4-methoxyphenyl)-6-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[4-(4-methoxyphenyl)-6-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one
PubChem CID44722488
Molecular FormulaC27H19N3O5
Molecular Weight465.47 g/mol
Exact Mass465.13
IUPAC Name6-[4-(4-methoxyphenyl)-6-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one
SMILESCOc1ccc(-c2cc(-c3ccc4c(c3)NC(=O)CO4)nc(-c3ccc4oc(=O)[nH]c4c3)c2)cc1
InChIInChI=1S/C27H19N3O5/c1-33-19-6-2-15(3-7-19)18-12-20(16-4-8-24-22(10-16)29-26(31)14-34-24)28-21(13-18)17-5-9-25-23(11-17)30-27(32)35-25/h2-13H,14H2,1H3,(H,29,31)(H,30,32)
InChIKeyIDMOGHOXOOXDNT-UHFFFAOYSA-N
XLogP4.86
TPSA106.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[4-(4-methoxyphenyl)-6-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one
CID 44722490
6-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 2455762
6-methoxy-4H-1,4-benzoxazin-3-one
CID 13204952
6-(4-ethoxyphenyl)-4H-1,4-benzoxazin-3-one
CID 117001077
6-[chloro-(4-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 61084415
6-[hydroxy-(4-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 61082397
6-[6-(4-chlorophenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one
CID 86093145
6-(2-chloro-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 116968112
6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 2061961
6-[2-(methylamino)-1,3-oxazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 116832523
6-(1-benzofuran-5-yl)-4H-1,4-benzoxazin-3-one
CID 11514498
6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 4800755

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methoxyphenyl)-6-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[4-(4-methoxyphenyl)-6-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one (CID 44722488) is 6-[4-(4-methoxyphenyl)-6-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[4-(4-methoxyphenyl)-6-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[4-(4-methoxyphenyl)-6-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one is COc1ccc(-c2cc(-c3ccc4c(c3)NC(=O)CO4)nc(-c3ccc4oc(=O)[nH]c4c3)c2)cc1.
What is the InChIKey of 6-[4-(4-methoxyphenyl)-6-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is IDMOGHOXOOXDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O5/c1-33-19-6-2-15(3-7-19)18-12-20(16-4-8-24-22(10-16)29-26(31)14-34-24)28-21(13-18)17-5-9-25-23(11-17)30-27(32)35-25/h2-13H,14H2,1H3,(H,29,31)(H,30,32).
What are the key properties of 6-[4-(4-methoxyphenyl)-6-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one?
6-[4-(4-methoxyphenyl)-6-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 465.47 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methoxyphenyl)-6-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 44722488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).