1-(4-fluorophenyl)-4-methyl-3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one

C22H22FN3O3 — CID 172670200

IUPAC1-(4-fluorophenyl)-4-methyl-3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one
SMILESCc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)N1CCc2oc(C(C)C)nc2C1
InChIInChI=1S/C22H22FN3O3/c1-13(2)20-24-17-12-25(10-9-18(17)29-20)21(27)19-14(3)8-11-26(22(19)28)16-6-4-15(23)5-7-16/h4-8,11,13H,9-10,12H2,1-3H3
InChIKeyJARQZCFFMKHPFT-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.59
Rot. Bonds3

About 1-(4-fluorophenyl)-4-methyl-3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one

1-(4-fluorophenyl)-4-methyl-3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one (PubChem CID 172670200) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methyl-3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methyl-3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one
PubChem CID172670200
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name1-(4-fluorophenyl)-4-methyl-3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one
SMILESCc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)N1CCc2oc(C(C)C)nc2C1
InChIInChI=1S/C22H22FN3O3/c1-13(2)20-24-17-12-25(10-9-18(17)29-20)21(27)19-14(3)8-11-26(22(19)28)16-6-4-15(23)5-7-16/h4-8,11,13H,9-10,12H2,1-3H3
InChIKeyJARQZCFFMKHPFT-UHFFFAOYSA-N
XLogP3.59
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methyl-3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-4-methyl-3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one (CID 172670200) is 1-(4-fluorophenyl)-4-methyl-3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methyl-3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-methyl-3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one is Cc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)N1CCc2oc(C(C)C)nc2C1.
What is the InChIKey of 1-(4-fluorophenyl)-4-methyl-3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one?
The InChIKey is JARQZCFFMKHPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-13(2)20-24-17-12-25(10-9-18(17)29-20)21(27)19-14(3)8-11-26(22(19)28)16-6-4-15(23)5-7-16/h4-8,11,13H,9-10,12H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-4-methyl-3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one?
1-(4-fluorophenyl)-4-methyl-3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one has a molecular weight of 395.43 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methyl-3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one is sourced from PubChem (CID 172670200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).