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

C19H17N3O3 — CID 170508120

IUPAC6-methyl-4-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCc3oc(-c4ccccc4)nc3C2)cc(=O)[nH]1
InChIInChI=1S/C19H17N3O3/c1-12-9-14(10-17(23)20-12)19(24)22-8-7-16-15(11-22)21-18(25-16)13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,20,23)
InChIKeyFFWHXHCEUASNAG-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.54
Rot. Bonds2

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

6-methyl-4-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-pyridin-2-one (PubChem CID 170508120) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 6-methyl-4-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-4-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-pyridin-2-one
PubChem CID170508120
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name6-methyl-4-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCc3oc(-c4ccccc4)nc3C2)cc(=O)[nH]1
InChIInChI=1S/C19H17N3O3/c1-12-9-14(10-17(23)20-12)19(24)22-8-7-16-15(11-22)21-18(25-16)13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,20,23)
InChIKeyFFWHXHCEUASNAG-UHFFFAOYSA-N
XLogP2.54
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one
CID 170502130
4-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-6-methyl-1H-pyridin-2-one
CID 170502822
(2,5-dimethylpyrazol-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 169414023
(3-methyl-1,2-oxazol-5-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170504606
[4-(4-methylpiperazin-1-yl)phenyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 169419453
1,2-dimethyl-6-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-4-one
CID 170512533
(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanone
CID 170502772
[5-(difluoromethyl)-1H-pyrazol-3-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170502438
(5-cyclopropyl-1H-pyrazol-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170502326
(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(1,3-thiazol-5-yl)methanone
CID 169417462
2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid
CID 91350154
(1-ethylpyrazol-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170504334

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 6-methyl-4-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-pyridin-2-one (CID 170508120) is 6-methyl-4-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-4-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-4-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-pyridin-2-one is Cc1cc(C(=O)N2CCc3oc(-c4ccccc4)nc3C2)cc(=O)[nH]1.
What is the InChIKey of 6-methyl-4-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-pyridin-2-one?
The InChIKey is FFWHXHCEUASNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12-9-14(10-17(23)20-12)19(24)22-8-7-16-15(11-22)21-18(25-16)13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,20,23).
What are the key properties of 6-methyl-4-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-pyridin-2-one?
6-methyl-4-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-pyridin-2-one has a molecular weight of 335.36 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 170508120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).