[5-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazolidin-5-yl]methanol

C20H22FN3O2 — CID 23136014

IUPAC[5-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazolidin-5-yl]methanol
SMILESCCC1(CO)CNC(c2nn(Cc3ccccc3F)c3ccccc23)O1
InChIInChI=1S/C20H22FN3O2/c1-2-20(13-25)12-22-19(26-20)18-15-8-4-6-10-17(15)24(23-18)11-14-7-3-5-9-16(14)21/h3-10,19,22,25H,2,11-13H2,1H3
InChIKeyCZDZVPCMRRUKLK-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.98
Rot. Bonds5

About [5-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazolidin-5-yl]methanol

[5-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazolidin-5-yl]methanol (PubChem CID 23136014) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is [5-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazolidin-5-yl]methanol.

Molecular Properties

Compound Name[5-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazolidin-5-yl]methanol
PubChem CID23136014
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name[5-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazolidin-5-yl]methanol
SMILESCCC1(CO)CNC(c2nn(Cc3ccccc3F)c3ccccc23)O1
InChIInChI=1S/C20H22FN3O2/c1-2-20(13-25)12-22-19(26-20)18-15-8-4-6-10-17(15)24(23-18)11-14-7-3-5-9-16(14)21/h3-10,19,22,25H,2,11-13H2,1H3
InChIKeyCZDZVPCMRRUKLK-UHFFFAOYSA-N
XLogP2.98
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methyl-1,3-oxazol-4-yl]methanol
CID 21334457
5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole
CID 21334392
2-ethyl-1-[(2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine
CID 64843429
[3-[[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylmethyl)pyrimidin-5-yl]oxymethyl]oxetan-3-yl]methanol
CID 160909474
[5-[1-[(2,4-difluorophenyl)methyl]indazol-3-yl]furan-2-yl]methanol
CID 90666918
3-[4-[(5S)-4-amino-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanoic acid
CID 129242668
4-[(4-chlorophenyl)methyl]-2-[(2-fluorophenyl)methyl]phthalazin-1-one
CID 166444012
3,4-diethyl-1-[(2-fluorophenyl)methyl]pyrrolidine
CID 166944800
[1-[(2-chloro-3-fluorophenyl)methyl]indazol-3-yl]methanamine
CID 115984346
[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]methanediol
CID 22224528
5-butan-2-yl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64848062
3-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-8-oxo-9H-purin-7-yl]azetidine-1-carboxylic acid
CID 90170056

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazolidin-5-yl]methanol?
The IUPAC name of [5-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazolidin-5-yl]methanol (CID 23136014) is [5-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazolidin-5-yl]methanol.
What is the SMILES notation for [5-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazolidin-5-yl]methanol?
The canonical SMILES for [5-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazolidin-5-yl]methanol is CCC1(CO)CNC(c2nn(Cc3ccccc3F)c3ccccc23)O1.
What is the InChIKey of [5-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazolidin-5-yl]methanol?
The InChIKey is CZDZVPCMRRUKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-2-20(13-25)12-22-19(26-20)18-15-8-4-6-10-17(15)24(23-18)11-14-7-3-5-9-16(14)21/h3-10,19,22,25H,2,11-13H2,1H3.
What are the key properties of [5-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazolidin-5-yl]methanol?
[5-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazolidin-5-yl]methanol has a molecular weight of 355.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazolidin-5-yl]methanol is sourced from PubChem (CID 23136014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).