[4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone

C22H20FN5O3 — CID 154679550

IUPAC[4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone
SMILESCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCNCC5)cc4)no3)c2cc1F
InChIInChI=1S/C22H20FN5O3/c1-30-19-12-18-15(10-16(19)23)21(26-25-18)20-11-17(27-31-20)13-2-4-14(5-3-13)22(29)28-8-6-24-7-9-28/h2-5,10-12,24H,6-9H2,1H3,(H,25,26)
InChIKeyLZZVNASSBVBCPM-UHFFFAOYSA-N
MW421.43 g/mol
LogP3.08
Rot. Bonds4

About [4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone

[4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone (PubChem CID 154679550) has the molecular formula C22H20FN5O3 and a molecular weight of 421.43 g/mol. Its IUPAC name is [4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone
PubChem CID154679550
Molecular FormulaC22H20FN5O3
Molecular Weight421.43 g/mol
Exact Mass421.16
IUPAC Name[4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone
SMILESCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCNCC5)cc4)no3)c2cc1F
InChIInChI=1S/C22H20FN5O3/c1-30-19-12-18-15(10-16(19)23)21(26-25-18)20-11-17(27-31-20)13-2-4-14(5-3-13)22(29)28-8-6-24-7-9-28/h2-5,10-12,24H,6-9H2,1H3,(H,25,26)
InChIKeyLZZVNASSBVBCPM-UHFFFAOYSA-N
XLogP3.08
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone
CID 154679631
[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(3-methylsulfonylazetidin-1-yl)methanone
CID 154679488
[4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 154679620
1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]-2,3,3a,4,5,6a-hexahydropyrrolo[2,3-c]pyrrol-6-one
CID 155059398
4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N-(1-methylazetidin-3-yl)benzamide
CID 154679649
4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholine
CID 155067309
4-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]morpholine
CID 154679547
[4-[5-(6-bromo-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-[(2S)-2,4-dimethylpiperazin-1-yl]methanone
CID 154679720
5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[4-[4-(oxetan-3-yl)-1,4-diazepan-1-yl]phenyl]-1,2-oxazole
CID 155067519
5-[5-chloro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[4-(1,2,4-triazol-1-yl)phenyl]-1,2-oxazole
CID 154679859
[(2S)-2,4-dimethylpiperazin-1-yl]-[4-[3-[5-isocyano-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]methanone
CID 164745507
(3,4-dimethoxyphenyl)-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 133371022

Frequently Asked Questions

What is the IUPAC name of [4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone (CID 154679550) is [4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone is COc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCNCC5)cc4)no3)c2cc1F.
What is the InChIKey of [4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone?
The InChIKey is LZZVNASSBVBCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O3/c1-30-19-12-18-15(10-16(19)23)21(26-25-18)20-11-17(27-31-20)13-2-4-14(5-3-13)22(29)28-8-6-24-7-9-28/h2-5,10-12,24H,6-9H2,1H3,(H,25,26).
What are the key properties of [4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone?
[4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone has a molecular weight of 421.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 154679550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).