[(3R)-3-phenyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl]-pyrrolidin-1-ylmethanone

C18H19N3O2 — CID 142494916

IUPAC[(3R)-3-phenyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc2c(c1)OC[C@@H](c1ccccc1)N2)N1CCCC1
InChIInChI=1S/C18H19N3O2/c22-18(21-8-4-5-9-21)14-10-16-17(19-11-14)20-15(12-23-16)13-6-2-1-3-7-13/h1-3,6-7,10-11,15H,4-5,8-9,12H2,(H,19,20)/t15-/m0/s1
InChIKeyUNQHYAYOYFXLPR-HNNXBMFYSA-N
MW309.37 g/mol
LogP2.86
Rot. Bonds2

About [(3R)-3-phenyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl]-pyrrolidin-1-ylmethanone

[(3R)-3-phenyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl]-pyrrolidin-1-ylmethanone (PubChem CID 142494916) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is [(3R)-3-phenyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-phenyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl]-pyrrolidin-1-ylmethanone
PubChem CID142494916
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name[(3R)-3-phenyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc2c(c1)OC[C@@H](c1ccccc1)N2)N1CCCC1
InChIInChI=1S/C18H19N3O2/c22-18(21-8-4-5-9-21)14-10-16-17(19-11-14)20-15(12-23-16)13-6-2-1-3-7-13/h1-3,6-7,10-11,15H,4-5,8-9,12H2,(H,19,20)/t15-/m0/s1
InChIKeyUNQHYAYOYFXLPR-HNNXBMFYSA-N
XLogP2.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(pyrrolidin-1-yl)methanone
CID 142494924
3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(piperidin-1-yl)methanone
CID 139351307
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074
[3-(3-chlorophenyl)-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone
CID 154994284
2H-benzotriazol-5-yl-[(4R,5S)-4,5-dihydroxy-2-oxa-8-azabicyclo[11.4.0]heptadeca-1(17),13,15-trien-8-yl]methanone
CID 110070086
(5-hydroxy-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 63859040
[(3S)-3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl]-(3-pyrimidin-5-yl-2,5-dihydropyrrol-1-yl)methanone
CID 139351367
[(4R,5S)-4,5-dihydroxy-2-oxa-8-azabicyclo[11.4.0]heptadeca-1(17),13,15-trien-8-yl]-(6-methoxy-3-pyridinyl)methanone
CID 110070091
(3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 154860646
[4-(4-fluorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]-piperidin-1-ylmethanone
CID 154994839
4-phenyl-9-(pyridine-4-carbonyl)-1,5,9-triazacyclotridecan-2-one
CID 163310756
[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
CID 175644434

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-phenyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R)-3-phenyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl]-pyrrolidin-1-ylmethanone (CID 142494916) is [(3R)-3-phenyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R)-3-phenyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R)-3-phenyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl]-pyrrolidin-1-ylmethanone is O=C(c1cnc2c(c1)OC[C@@H](c1ccccc1)N2)N1CCCC1.
What is the InChIKey of [(3R)-3-phenyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UNQHYAYOYFXLPR-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-18(21-8-4-5-9-21)14-10-16-17(19-11-14)20-15(12-23-16)13-6-2-1-3-7-13/h1-3,6-7,10-11,15H,4-5,8-9,12H2,(H,19,20)/t15-/m0/s1.
What are the key properties of [(3R)-3-phenyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl]-pyrrolidin-1-ylmethanone?
[(3R)-3-phenyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 309.37 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-phenyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 142494916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).