[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

C17H16N4O3 — CID 146088841

IUPAC[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESCOc1ccc(-c2ocnc2C(=O)N2CCc3[nH]ncc3C2)cc1
InChIInChI=1S/C17H16N4O3/c1-23-13-4-2-11(3-5-13)16-15(18-10-24-16)17(22)21-7-6-14-12(9-21)8-19-20-14/h2-5,8,10H,6-7,9H2,1H3,(H,19,20)
InChIKeyPHXHKKGSGNBZCU-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.27
Rot. Bonds3

About [5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 146088841) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID146088841
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESCOc1ccc(-c2ocnc2C(=O)N2CCc3[nH]ncc3C2)cc1
InChIInChI=1S/C17H16N4O3/c1-23-13-4-2-11(3-5-13)16-15(18-10-24-16)17(22)21-7-6-14-12(9-21)8-19-20-14/h2-5,8,10H,6-7,9H2,1H3,(H,19,20)
InChIKeyPHXHKKGSGNBZCU-UHFFFAOYSA-N
XLogP2.27
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-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

Related Compounds

(4-butoxyphenyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859849
[1-[(4-methoxyphenyl)methyl]azetidin-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 146108730
[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 2738705
[4-(oxolan-2-ylmethoxy)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859815
(5-amino-1,3-dihydropyrazol-2-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone
CID 146095430
(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanone
CID 139002955
[4-(6-ethoxypyridazin-3-yl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 122556617
1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl-(4,6,7-trimethoxy-1H-indol-2-yl)methanone
CID 86859664
2-[5-(4-methoxyphenyl)-1,3-oxazole-4-carbonyl]-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one
CID 146066916
1H-indazol-7-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859698
(2S)-2-(3,4-dimethoxyphenyl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 96528819
(1-tert-butyl-1,2,4-triazol-3-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 136543923

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (CID 146088841) is [5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is COc1ccc(-c2ocnc2C(=O)N2CCc3[nH]ncc3C2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is PHXHKKGSGNBZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-23-13-4-2-11(3-5-13)16-15(18-10-24-16)17(22)21-7-6-14-12(9-21)8-19-20-14/h2-5,8,10H,6-7,9H2,1H3,(H,19,20).
What are the key properties of [5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 324.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 146088841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).