[(1S)-1-(1,3-oxazol-5-yl)-5-pyridin-3-yl-1,3-dihydroisoindol-2-yl]-pyridazin-4-ylmethanone

C21H15N5O2 — CID 97406341

IUPAC[(1S)-1-(1,3-oxazol-5-yl)-5-pyridin-3-yl-1,3-dihydroisoindol-2-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1Cc2cc(-c3cccnc3)ccc2[C@H]1c1cnco1
InChIInChI=1S/C21H15N5O2/c27-21(16-5-7-24-25-10-16)26-12-17-8-14(15-2-1-6-22-9-15)3-4-18(17)20(26)19-11-23-13-28-19/h1-11,13,20H,12H2/t20-/m0/s1
InChIKeyWUUBDYKOHQEDNJ-FQEVSTJZSA-N
MW369.38 g/mol
LogP3.27
Rot. Bonds3

About [(1S)-1-(1,3-oxazol-5-yl)-5-pyridin-3-yl-1,3-dihydroisoindol-2-yl]-pyridazin-4-ylmethanone

[(1S)-1-(1,3-oxazol-5-yl)-5-pyridin-3-yl-1,3-dihydroisoindol-2-yl]-pyridazin-4-ylmethanone (PubChem CID 97406341) has the molecular formula C21H15N5O2 and a molecular weight of 369.38 g/mol. Its IUPAC name is [(1S)-1-(1,3-oxazol-5-yl)-5-pyridin-3-yl-1,3-dihydroisoindol-2-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[(1S)-1-(1,3-oxazol-5-yl)-5-pyridin-3-yl-1,3-dihydroisoindol-2-yl]-pyridazin-4-ylmethanone
PubChem CID97406341
Molecular FormulaC21H15N5O2
Molecular Weight369.38 g/mol
Exact Mass369.12
IUPAC Name[(1S)-1-(1,3-oxazol-5-yl)-5-pyridin-3-yl-1,3-dihydroisoindol-2-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1Cc2cc(-c3cccnc3)ccc2[C@H]1c1cnco1
InChIInChI=1S/C21H15N5O2/c27-21(16-5-7-24-25-10-16)26-12-17-8-14(15-2-1-6-22-9-15)3-4-18(17)20(26)19-11-23-13-28-19/h1-11,13,20H,12H2/t20-/m0/s1
InChIKeyWUUBDYKOHQEDNJ-FQEVSTJZSA-N
XLogP3.27
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-oxazol-5-yl)-2-(pyridine-4-carbonyl)-1,3-dihydroisoindole-5-carbonitrile
CID 131657452
[1-(1,3-oxazol-5-yl)-5-pyridin-4-yl-1,3-dihydroisoindol-2-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 134076463
1H-imidazol-5-yl-[1-(1,3-oxazol-5-yl)-5-(1H-pyrazol-5-yl)-1,3-dihydroisoindol-2-yl]methanone
CID 134076456
2-(dimethylamino)-1-[1-(1,3-oxazol-5-yl)-5-(pyridin-3-ylamino)-1,3-dihydroisoindol-2-yl]ethanone
CID 134073352
[5-(dimethylamino)-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-2-yl]-(furan-2-yl)methanone
CID 118738905
6-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410365
(3-fluoro-2-pyridinyl)-(3-methyl-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 171145085
morpholin-4-yl-[1-(3-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]methanone
CID 134801928
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-methyl-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 171145098
[(3aS,6aR)-1-(pyridin-3-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-pyridazin-4-ylmethanone
CID 124792589
3-pyridin-3-ylbenzoic acid
CID 2795575
1,4-diazabicyclo[3.2.2]nonan-4-yl-(4-pyridin-3-ylphenyl)methanone
CID 10335379

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(1,3-oxazol-5-yl)-5-pyridin-3-yl-1,3-dihydroisoindol-2-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [(1S)-1-(1,3-oxazol-5-yl)-5-pyridin-3-yl-1,3-dihydroisoindol-2-yl]-pyridazin-4-ylmethanone (CID 97406341) is [(1S)-1-(1,3-oxazol-5-yl)-5-pyridin-3-yl-1,3-dihydroisoindol-2-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [(1S)-1-(1,3-oxazol-5-yl)-5-pyridin-3-yl-1,3-dihydroisoindol-2-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [(1S)-1-(1,3-oxazol-5-yl)-5-pyridin-3-yl-1,3-dihydroisoindol-2-yl]-pyridazin-4-ylmethanone is O=C(c1ccnnc1)N1Cc2cc(-c3cccnc3)ccc2[C@H]1c1cnco1.
What is the InChIKey of [(1S)-1-(1,3-oxazol-5-yl)-5-pyridin-3-yl-1,3-dihydroisoindol-2-yl]-pyridazin-4-ylmethanone?
The InChIKey is WUUBDYKOHQEDNJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H15N5O2/c27-21(16-5-7-24-25-10-16)26-12-17-8-14(15-2-1-6-22-9-15)3-4-18(17)20(26)19-11-23-13-28-19/h1-11,13,20H,12H2/t20-/m0/s1.
What are the key properties of [(1S)-1-(1,3-oxazol-5-yl)-5-pyridin-3-yl-1,3-dihydroisoindol-2-yl]-pyridazin-4-ylmethanone?
[(1S)-1-(1,3-oxazol-5-yl)-5-pyridin-3-yl-1,3-dihydroisoindol-2-yl]-pyridazin-4-ylmethanone has a molecular weight of 369.38 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(1,3-oxazol-5-yl)-5-pyridin-3-yl-1,3-dihydroisoindol-2-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 97406341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).