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

C22H17N5O3S — CID 24965370

IUPAC[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazol-3-yl]methanone
SMILESCc1nc(-c2cc(C(=O)N3N=C(c4cccnc4)CC3c3ccccc3O)no2)cs1
InChIInChI=1S/C22H17N5O3S/c1-13-24-18(12-31-13)21-10-17(26-30-21)22(29)27-19(15-6-2-3-7-20(15)28)9-16(25-27)14-5-4-8-23-11-14/h2-8,10-12,19,28H,9H2,1H3
InChIKeyACVOZVGZIDGQEX-UHFFFAOYSA-N
MW431.48 g/mol
LogP4.20
Rot. Bonds4

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

[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazol-3-yl]methanone (PubChem CID 24965370) has the molecular formula C22H17N5O3S and a molecular weight of 431.48 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazol-3-yl]methanone
PubChem CID24965370
Molecular FormulaC22H17N5O3S
Molecular Weight431.48 g/mol
Exact Mass431.11
IUPAC Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazol-3-yl]methanone
SMILESCc1nc(-c2cc(C(=O)N3N=C(c4cccnc4)CC3c3ccccc3O)no2)cs1
InChIInChI=1S/C22H17N5O3S/c1-13-24-18(12-31-13)21-10-17(26-30-21)22(29)27-19(15-6-2-3-7-20(15)28)9-16(25-27)14-5-4-8-23-11-14/h2-8,10-12,19,28H,9H2,1H3
InChIKeyACVOZVGZIDGQEX-UHFFFAOYSA-N
XLogP4.20
TPSA104.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazol-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazol-3-yl]methanone (CID 24965370) is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazol-3-yl]methanone is Cc1nc(-c2cc(C(=O)N3N=C(c4cccnc4)CC3c3ccccc3O)no2)cs1.
What is the InChIKey of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazol-3-yl]methanone?
The InChIKey is ACVOZVGZIDGQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O3S/c1-13-24-18(12-31-13)21-10-17(26-30-21)22(29)27-19(15-6-2-3-7-20(15)28)9-16(25-27)14-5-4-8-23-11-14/h2-8,10-12,19,28H,9H2,1H3.
What are the key properties of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazol-3-yl]methanone?
[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazol-3-yl]methanone has a molecular weight of 431.48 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 24965370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).