methyl 1-(oxan-2-yl)indazole-5-carboxylate

C14H16N2O3 — CID 129013603

IUPACmethyl 1-(oxan-2-yl)indazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(cnn2C2CCCCO2)c1
InChIInChI=1S/C14H16N2O3/c1-18-14(17)10-5-6-12-11(8-10)9-15-16(12)13-4-2-3-7-19-13/h5-6,8-9,13H,2-4,7H2,1H3
InChIKeyYDRZFSGFZMWMDL-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.52
Rot. Bonds2

About methyl 1-(oxan-2-yl)indazole-5-carboxylate

methyl 1-(oxan-2-yl)indazole-5-carboxylate (PubChem CID 129013603) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 1-(oxan-2-yl)indazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(oxan-2-yl)indazole-5-carboxylate
PubChem CID129013603
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 1-(oxan-2-yl)indazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(cnn2C2CCCCO2)c1
InChIInChI=1S/C14H16N2O3/c1-18-14(17)10-5-6-12-11(8-10)9-15-16(12)13-4-2-3-7-19-13/h5-6,8-9,13H,2-4,7H2,1H3
InChIKeyYDRZFSGFZMWMDL-UHFFFAOYSA-N
XLogP2.52
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(oxan-2-yl)indazole-5-carboxylate?
The IUPAC name of methyl 1-(oxan-2-yl)indazole-5-carboxylate (CID 129013603) is methyl 1-(oxan-2-yl)indazole-5-carboxylate.
What is the SMILES notation for methyl 1-(oxan-2-yl)indazole-5-carboxylate?
The canonical SMILES for methyl 1-(oxan-2-yl)indazole-5-carboxylate is COC(=O)c1ccc2c(cnn2C2CCCCO2)c1.
What is the InChIKey of methyl 1-(oxan-2-yl)indazole-5-carboxylate?
The InChIKey is YDRZFSGFZMWMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-14(17)10-5-6-12-11(8-10)9-15-16(12)13-4-2-3-7-19-13/h5-6,8-9,13H,2-4,7H2,1H3.
What are the key properties of methyl 1-(oxan-2-yl)indazole-5-carboxylate?
methyl 1-(oxan-2-yl)indazole-5-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(oxan-2-yl)indazole-5-carboxylate is sourced from PubChem (CID 129013603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).