[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone

C25H23N7O3 — CID 134477954

IUPAC[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
SMILESCc1nn(C)c2cc(-c3noc(N4CCN(C(=O)c5cc(-c6ccccc6)no5)CC4)n3)ccc12
InChIInChI=1S/C25H23N7O3/c1-16-19-9-8-18(14-21(19)30(2)27-16)23-26-25(35-29-23)32-12-10-31(11-13-32)24(33)22-15-20(28-34-22)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3
InChIKeyVMFSVHUAUKLCRE-UHFFFAOYSA-N
MW469.51 g/mol
LogP3.55
Rot. Bonds4

About [4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone

[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone (PubChem CID 134477954) has the molecular formula C25H23N7O3 and a molecular weight of 469.51 g/mol. Its IUPAC name is [4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
PubChem CID134477954
Molecular FormulaC25H23N7O3
Molecular Weight469.51 g/mol
Exact Mass469.19
IUPAC Name[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
SMILESCc1nn(C)c2cc(-c3noc(N4CCN(C(=O)c5cc(-c6ccccc6)no5)CC4)n3)ccc12
InChIInChI=1S/C25H23N7O3/c1-16-19-9-8-18(14-21(19)30(2)27-16)23-26-25(35-29-23)32-12-10-31(11-13-32)24(33)22-15-20(28-34-22)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3
InChIKeyVMFSVHUAUKLCRE-UHFFFAOYSA-N
XLogP3.55
TPSA106.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-fluorophenyl)methanol
CID 155066594
[4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38416794
[3-(dimethylamino)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 22581254
[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117359747
[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 55668581
N-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]acetamide
CID 153307983
[4-(methylamino)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone;hydrochloride
CID 119563333
1-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 134477548
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38414706
1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 119167795
(5-phenyl-1,2-oxazol-3-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110619764
[1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 29180510

Frequently Asked Questions

What is the IUPAC name of [4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone (CID 134477954) is [4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone is Cc1nn(C)c2cc(-c3noc(N4CCN(C(=O)c5cc(-c6ccccc6)no5)CC4)n3)ccc12.
What is the InChIKey of [4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The InChIKey is VMFSVHUAUKLCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O3/c1-16-19-9-8-18(14-21(19)30(2)27-16)23-26-25(35-29-23)32-12-10-31(11-13-32)24(33)22-15-20(28-34-22)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of [4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone has a molecular weight of 469.51 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 134477954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).