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

C19H20N2O2 — CID 22015564

IUPAC6-cyclohexyl-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCn1c(C2CCCCC2)cc2onc(-c3ccccc3)c2c1=O
InChIInChI=1S/C19H20N2O2/c1-21-15(13-8-4-2-5-9-13)12-16-17(19(21)22)18(20-23-16)14-10-6-3-7-11-14/h3,6-7,10-13H,2,4-5,8-9H2,1H3
InChIKeyFMSSTTMLKQLLII-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.24
Rot. Bonds2

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

6-cyclohexyl-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (PubChem CID 22015564) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-cyclohexyl-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name6-cyclohexyl-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
PubChem CID22015564
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name6-cyclohexyl-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCn1c(C2CCCCC2)cc2onc(-c3ccccc3)c2c1=O
InChIInChI=1S/C19H20N2O2/c1-21-15(13-8-4-2-5-9-13)12-16-17(19(21)22)18(20-23-16)14-10-6-3-7-11-14/h3,6-7,10-13H,2,4-5,8-9H2,1H3
InChIKeyFMSSTTMLKQLLII-UHFFFAOYSA-N
XLogP4.24
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 4250909
5-methyl-6-[3-[methyl(sulfanyl)amino]phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 142196312
methyl 4-(5-methyl-4-oxo-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-6-yl)benzoate
CID 24983127
6-[6-(dimethylamino)-3-pyridinyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 22137717
6-[4-(2-hydroxyethoxymethyl)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 22015574
3-amino-5-methyl-6-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 166133367
5-methyl-3-phenyl-7H-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione
CID 137126327
6-cyclopropyl-3-phenyl-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315419
1-cyclohexyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 91916927
3-cyclooctyl-1-methylquinolin-2-one
CID 166438845
5-cyclohexyl-4-phenyl-1H-imidazole
CID 148619969
(3R)-1-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 125149055

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 6-cyclohexyl-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (CID 22015564) is 6-cyclohexyl-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 6-cyclohexyl-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 6-cyclohexyl-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is Cn1c(C2CCCCC2)cc2onc(-c3ccccc3)c2c1=O.
What is the InChIKey of 6-cyclohexyl-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is FMSSTTMLKQLLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-21-15(13-8-4-2-5-9-13)12-16-17(19(21)22)18(20-23-16)14-10-6-3-7-11-14/h3,6-7,10-13H,2,4-5,8-9H2,1H3.
What are the key properties of 6-cyclohexyl-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
6-cyclohexyl-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 308.38 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 22015564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).