5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-1,2-oxazole

C16H16ClN3O3 — CID 171644747

IUPAC5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-1,2-oxazole
SMILESClc1cc2cnn(C3CCCCO3)c2cc1OCc1ccno1
InChIInChI=1S/C16H16ClN3O3/c17-13-7-11-9-18-20(16-3-1-2-6-21-16)14(11)8-15(13)22-10-12-4-5-19-23-12/h4-5,7-9,16H,1-3,6,10H2
InChIKeyQBXSSNSDUQOQEN-UHFFFAOYSA-N
MW333.78 g/mol
LogP3.96
Rot. Bonds4

About 5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-1,2-oxazole

5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-1,2-oxazole (PubChem CID 171644747) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-1,2-oxazole
PubChem CID171644747
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-1,2-oxazole
SMILESClc1cc2cnn(C3CCCCO3)c2cc1OCc1ccno1
InChIInChI=1S/C16H16ClN3O3/c17-13-7-11-9-18-20(16-3-1-2-6-21-16)14(11)8-15(13)22-10-12-4-5-19-23-12/h4-5,7-9,16H,1-3,6,10H2
InChIKeyQBXSSNSDUQOQEN-UHFFFAOYSA-N
XLogP3.96
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-1,2-oxazole?
The IUPAC name of 5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-1,2-oxazole (CID 171644747) is 5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-1,2-oxazole.
What is the SMILES notation for 5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-1,2-oxazole?
The canonical SMILES for 5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-1,2-oxazole is Clc1cc2cnn(C3CCCCO3)c2cc1OCc1ccno1.
What is the InChIKey of 5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-1,2-oxazole?
The InChIKey is QBXSSNSDUQOQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c17-13-7-11-9-18-20(16-3-1-2-6-21-16)14(11)8-15(13)22-10-12-4-5-19-23-12/h4-5,7-9,16H,1-3,6,10H2.
What are the key properties of 5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-1,2-oxazole?
5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-1,2-oxazole has a molecular weight of 333.78 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-1,2-oxazole is sourced from PubChem (CID 171644747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).