1-(oxan-4-ylmethyl)indazole-3-carboxylic acid

C14H16N2O3 — CID 55178208

IUPAC1-(oxan-4-ylmethyl)indazole-3-carboxylic acid
SMILESO=C(O)c1nn(CC2CCOCC2)c2ccccc12
InChIInChI=1S/C14H16N2O3/c17-14(18)13-11-3-1-2-4-12(11)16(15-13)9-10-5-7-19-8-6-10/h1-4,10H,5-9H2,(H,17,18)
InChIKeyMSFCMALFKVWRDI-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.16
Rot. Bonds3

About 1-(oxan-4-ylmethyl)indazole-3-carboxylic acid

1-(oxan-4-ylmethyl)indazole-3-carboxylic acid (PubChem CID 55178208) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)indazole-3-carboxylic acid
PubChem CID55178208
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(oxan-4-ylmethyl)indazole-3-carboxylic acid
SMILESO=C(O)c1nn(CC2CCOCC2)c2ccccc12
InChIInChI=1S/C14H16N2O3/c17-14(18)13-11-3-1-2-4-12(11)16(15-13)9-10-5-7-19-8-6-10/h1-4,10H,5-9H2,(H,17,18)
InChIKeyMSFCMALFKVWRDI-UHFFFAOYSA-N
XLogP2.16
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylnaphthalen-1-yl)-[1-(oxan-4-ylmethyl)indazol-3-yl]methanone
CID 170857790
3,3-dimethyl-2-[[1-(oxan-4-ylmethyl)indazole-3-carbonyl]amino]butanoic acid
CID 70969926
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(oxan-4-ylmethyl)indazole-3-carboxamide
CID 68894629
N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-1-(oxan-4-ylmethyl)indazole-3-carboxamide
CID 68893852
3-(cyclopentylmethyl)-4-oxophthalazine-1-carboxylic acid
CID 61342452
1-(cyclopropylmethyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide
CID 167312295
1-(1-methylindazol-3-yl)-2-(oxan-4-yl)ethanone
CID 103124360
1-(2-methylprop-2-enyl)indazole-3-carboxylic acid
CID 18695551
1-[2-(1-methylpiperidin-2-yl)ethyl]indazole-3-carboxylic acid
CID 107912892
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indazole-3-carboxylic acid
CID 63106292
ethyl 5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]-[1-(oxan-4-ylmethyl)indazole-3-carbonyl]amino]methyl]-1,3,4-oxadiazole-2-carboxylate
CID 91390067
(2S,3R)-2-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-3-methylbutanedioic acid
CID 125181319

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)indazole-3-carboxylic acid?
The IUPAC name of 1-(oxan-4-ylmethyl)indazole-3-carboxylic acid (CID 55178208) is 1-(oxan-4-ylmethyl)indazole-3-carboxylic acid.
What is the SMILES notation for 1-(oxan-4-ylmethyl)indazole-3-carboxylic acid?
The canonical SMILES for 1-(oxan-4-ylmethyl)indazole-3-carboxylic acid is O=C(O)c1nn(CC2CCOCC2)c2ccccc12.
What is the InChIKey of 1-(oxan-4-ylmethyl)indazole-3-carboxylic acid?
The InChIKey is MSFCMALFKVWRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-14(18)13-11-3-1-2-4-12(11)16(15-13)9-10-5-7-19-8-6-10/h1-4,10H,5-9H2,(H,17,18).
What are the key properties of 1-(oxan-4-ylmethyl)indazole-3-carboxylic acid?
1-(oxan-4-ylmethyl)indazole-3-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)indazole-3-carboxylic acid is sourced from PubChem (CID 55178208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).