[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone

C22H16N4O4 — CID 54583107

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1cc(-c2ccco2)on1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C22H16N4O4/c27-19-7-2-1-6-15(19)18-11-16(14-5-3-9-23-13-14)24-26(18)22(28)17-12-21(30-25-17)20-8-4-10-29-20/h1-10,12-13,18,27H,11H2
InChIKeyCGRWJHIINBAVDB-UHFFFAOYSA-N
MW400.39 g/mol
LogP4.03
Rot. Bonds4

About [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone

[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 54583107) has the molecular formula C22H16N4O4 and a molecular weight of 400.39 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
PubChem CID54583107
Molecular FormulaC22H16N4O4
Molecular Weight400.39 g/mol
Exact Mass400.12
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1cc(-c2ccco2)on1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C22H16N4O4/c27-19-7-2-1-6-15(19)18-11-16(14-5-3-9-23-13-14)24-26(18)22(28)17-12-21(30-25-17)20-8-4-10-29-20/h1-10,12-13,18,27H,11H2
InChIKeyCGRWJHIINBAVDB-UHFFFAOYSA-N
XLogP4.03
TPSA104.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone (CID 54583107) is [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone is O=C(c1cc(-c2ccco2)on1)N1N=C(c2cccnc2)CC1c1ccccc1O.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is CGRWJHIINBAVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O4/c27-19-7-2-1-6-15(19)18-11-16(14-5-3-9-23-13-14)24-26(18)22(28)17-12-21(30-25-17)20-8-4-10-29-20/h1-10,12-13,18,27H,11H2.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone?
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 400.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 54583107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).