2-[4-[1-(oxan-2-yl)indazol-5-yl]phenyl]acetic acid

C20H20N2O3 — CID 177379491

IUPAC2-[4-[1-(oxan-2-yl)indazol-5-yl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc3c(cnn3C3CCCCO3)c2)cc1
InChIInChI=1S/C20H20N2O3/c23-20(24)11-14-4-6-15(7-5-14)16-8-9-18-17(12-16)13-21-22(18)19-3-1-2-10-25-19/h4-9,12-13,19H,1-3,10-11H2,(H,23,24)
InChIKeyDKXANRAASKYBGL-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.03
Rot. Bonds4

About 2-[4-[1-(oxan-2-yl)indazol-5-yl]phenyl]acetic acid

2-[4-[1-(oxan-2-yl)indazol-5-yl]phenyl]acetic acid (PubChem CID 177379491) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[4-[1-(oxan-2-yl)indazol-5-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(oxan-2-yl)indazol-5-yl]phenyl]acetic acid
PubChem CID177379491
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-[4-[1-(oxan-2-yl)indazol-5-yl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc3c(cnn3C3CCCCO3)c2)cc1
InChIInChI=1S/C20H20N2O3/c23-20(24)11-14-4-6-15(7-5-14)16-8-9-18-17(12-16)13-21-22(18)19-3-1-2-10-25-19/h4-9,12-13,19H,1-3,10-11H2,(H,23,24)
InChIKeyDKXANRAASKYBGL-UHFFFAOYSA-N
XLogP4.03
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[7-[2-[[Cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-1-methylindazol-5-yl]acetic acid
CID 118715118
trans-(1S,2S)-2-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[4,3-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxylic acid
CID 137656733
2-[1-(2,6-dimethylbenzyl)-3-methyl-1H-indazole-6-yl]acetic acid
CID 60152008
3-[1-[(2,6-Dimethylphenyl)methyl]-3-methylindazol-6-yl]propanoic acid
CID 68183990
2-[3-methyl-1-(quinoline-8-ylmethyl)-1H-indazole-6-yl]acetic acid
CID 68184284
2-[1-[(2,6-Dimethylphenyl)methyl]-3-ethylindazol-6-yl]acetic acid
CID 68184290
2-[1-[(2,6-Dimethylphenyl)methyl]-3-propan-2-ylindazol-6-yl]acetic acid
CID 68184292
2-[3-methyl-1-(naphthalene-1-ylmethyl)-1H-indazole-6-yl]acetic acid
CID 68184446
2-[3-methyl-1-(2,4,6-trimethylbenzyl)-1H-indazole-6-yl]acetic acid
CID 68184447
Acetic acid, (p-(2H-indazol-2-yl)phenyl)-
CID 54725
Butyric acid, 4-(p-(2H-indazol-2-yl)phenyl)-
CID 54727
Butyric acid, 2-(p-(2H-indazol-2-yl)phenyl)-
CID 54728

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(oxan-2-yl)indazol-5-yl]phenyl]acetic acid?
The IUPAC name of 2-[4-[1-(oxan-2-yl)indazol-5-yl]phenyl]acetic acid (CID 177379491) is 2-[4-[1-(oxan-2-yl)indazol-5-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[1-(oxan-2-yl)indazol-5-yl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[1-(oxan-2-yl)indazol-5-yl]phenyl]acetic acid is O=C(O)Cc1ccc(-c2ccc3c(cnn3C3CCCCO3)c2)cc1.
What is the InChIKey of 2-[4-[1-(oxan-2-yl)indazol-5-yl]phenyl]acetic acid?
The InChIKey is DKXANRAASKYBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-20(24)11-14-4-6-15(7-5-14)16-8-9-18-17(12-16)13-21-22(18)19-3-1-2-10-25-19/h4-9,12-13,19H,1-3,10-11H2,(H,23,24).
What are the key properties of 2-[4-[1-(oxan-2-yl)indazol-5-yl]phenyl]acetic acid?
2-[4-[1-(oxan-2-yl)indazol-5-yl]phenyl]acetic acid has a molecular weight of 336.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(oxan-2-yl)indazol-5-yl]phenyl]acetic acid is sourced from PubChem (CID 177379491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).