3-[(5-cyclopropyl-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole

C15H15N3O2 — CID 171644770

IUPAC3-[(5-cyclopropyl-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(COc2cc3[nH]ncc3cc2C2CC2)no1
InChIInChI=1S/C15H15N3O2/c1-9-4-12(18-20-9)8-19-15-6-14-11(7-16-17-14)5-13(15)10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H,16,17)
InChIKeyVOLGKXMJIQPLFH-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.32
Rot. Bonds4

About 3-[(5-cyclopropyl-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole

3-[(5-cyclopropyl-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole (PubChem CID 171644770) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(5-cyclopropyl-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole
PubChem CID171644770
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-[(5-cyclopropyl-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(COc2cc3[nH]ncc3cc2C2CC2)no1
InChIInChI=1S/C15H15N3O2/c1-9-4-12(18-20-9)8-19-15-6-14-11(7-16-17-14)5-13(15)10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H,16,17)
InChIKeyVOLGKXMJIQPLFH-UHFFFAOYSA-N
XLogP3.32
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(5-cyclopropyl-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole (CID 171644770) is 3-[(5-cyclopropyl-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(5-cyclopropyl-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(5-cyclopropyl-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole is Cc1cc(COc2cc3[nH]ncc3cc2C2CC2)no1.
What is the InChIKey of 3-[(5-cyclopropyl-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole?
The InChIKey is VOLGKXMJIQPLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-4-12(18-20-9)8-19-15-6-14-11(7-16-17-14)5-13(15)10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H,16,17).
What are the key properties of 3-[(5-cyclopropyl-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole?
3-[(5-cyclopropyl-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole has a molecular weight of 269.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyclopropyl-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 171644770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).