5-methyl-6-(4-phenoxyphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one

C25H18N2O3 — CID 22015582

IUPAC5-methyl-6-(4-phenoxyphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCn1c(-c2ccc(Oc3ccccc3)cc2)cc2onc(-c3ccccc3)c2c1=O
InChIInChI=1S/C25H18N2O3/c1-27-21(17-12-14-20(15-13-17)29-19-10-6-3-7-11-19)16-22-23(25(27)28)24(26-30-22)18-8-4-2-5-9-18/h2-16H,1H3
InChIKeyKQVFNVQDUTYNCI-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.65
Rot. Bonds4

About 5-methyl-6-(4-phenoxyphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one

5-methyl-6-(4-phenoxyphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (PubChem CID 22015582) has the molecular formula C25H18N2O3 and a molecular weight of 394.43 g/mol. Its IUPAC name is 5-methyl-6-(4-phenoxyphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-methyl-6-(4-phenoxyphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
PubChem CID22015582
Molecular FormulaC25H18N2O3
Molecular Weight394.43 g/mol
Exact Mass394.13
IUPAC Name5-methyl-6-(4-phenoxyphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCn1c(-c2ccc(Oc3ccccc3)cc2)cc2onc(-c3ccccc3)c2c1=O
InChIInChI=1S/C25H18N2O3/c1-27-21(17-12-14-20(15-13-17)29-19-10-6-3-7-11-19)16-22-23(25(27)28)24(26-30-22)18-8-4-2-5-9-18/h2-16H,1H3
InChIKeyKQVFNVQDUTYNCI-UHFFFAOYSA-N
XLogP5.65
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(4-phenoxyphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-methyl-6-(4-phenoxyphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (CID 22015582) is 5-methyl-6-(4-phenoxyphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-methyl-6-(4-phenoxyphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-methyl-6-(4-phenoxyphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is Cn1c(-c2ccc(Oc3ccccc3)cc2)cc2onc(-c3ccccc3)c2c1=O.
What is the InChIKey of 5-methyl-6-(4-phenoxyphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is KQVFNVQDUTYNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O3/c1-27-21(17-12-14-20(15-13-17)29-19-10-6-3-7-11-19)16-22-23(25(27)28)24(26-30-22)18-8-4-2-5-9-18/h2-16H,1H3.
What are the key properties of 5-methyl-6-(4-phenoxyphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
5-methyl-6-(4-phenoxyphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 394.43 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(4-phenoxyphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 22015582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).