2-(indazol-1-ylmethyl)-5-[(3R)-oxolan-3-yl]-1,3,4-oxadiazole

C14H14N4O2 — CID 129489687

IUPAC2-(indazol-1-ylmethyl)-5-[(3R)-oxolan-3-yl]-1,3,4-oxadiazole
SMILESc1ccc2c(c1)cnn2Cc1nnc([C@@H]2CCOC2)o1
InChIInChI=1S/C14H14N4O2/c1-2-4-12-10(3-1)7-15-18(12)8-13-16-17-14(20-13)11-5-6-19-9-11/h1-4,7,11H,5-6,8-9H2/t11-/m1/s1
InChIKeyTWFBOFZNSPJJTE-LLVKDONJSA-N
MW270.29 g/mol
LogP1.97
Rot. Bonds3

About 2-(indazol-1-ylmethyl)-5-[(3R)-oxolan-3-yl]-1,3,4-oxadiazole

2-(indazol-1-ylmethyl)-5-[(3R)-oxolan-3-yl]-1,3,4-oxadiazole (PubChem CID 129489687) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(indazol-1-ylmethyl)-5-[(3R)-oxolan-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(indazol-1-ylmethyl)-5-[(3R)-oxolan-3-yl]-1,3,4-oxadiazole
PubChem CID129489687
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name2-(indazol-1-ylmethyl)-5-[(3R)-oxolan-3-yl]-1,3,4-oxadiazole
SMILESc1ccc2c(c1)cnn2Cc1nnc([C@@H]2CCOC2)o1
InChIInChI=1S/C14H14N4O2/c1-2-4-12-10(3-1)7-15-18(12)8-13-16-17-14(20-13)11-5-6-19-9-11/h1-4,7,11H,5-6,8-9H2/t11-/m1/s1
InChIKeyTWFBOFZNSPJJTE-LLVKDONJSA-N
XLogP1.97
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S,3R)-3-[[5-(indazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide
CID 167788929
2-(methoxymethyl)-5-(oxolan-3-yl)-1,3,4-oxadiazole
CID 126990027
2-[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 115021308
2-[[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862931
2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-[(3S)-oxolan-3-yl]-1,3,4-oxadiazole
CID 129489389
6-tert-butyl-2-[2-[4-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126914150
N-tert-butyl-1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide
CID 166600679
[5-(indazol-1-ylmethyl)furan-2-yl]methanol
CID 113372439
2-bromo-5-(oxolan-3-yl)-1,3,4-oxadiazole
CID 114771335
2-[2-(2-methoxyphenyl)ethyl]-5-(oxan-3-yl)-1,3,4-oxadiazole
CID 167743789
2-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61314082
1-ethylindazole;propane
CID 143188130

Frequently Asked Questions

What is the IUPAC name of 2-(indazol-1-ylmethyl)-5-[(3R)-oxolan-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(indazol-1-ylmethyl)-5-[(3R)-oxolan-3-yl]-1,3,4-oxadiazole (CID 129489687) is 2-(indazol-1-ylmethyl)-5-[(3R)-oxolan-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(indazol-1-ylmethyl)-5-[(3R)-oxolan-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(indazol-1-ylmethyl)-5-[(3R)-oxolan-3-yl]-1,3,4-oxadiazole is c1ccc2c(c1)cnn2Cc1nnc([C@@H]2CCOC2)o1.
What is the InChIKey of 2-(indazol-1-ylmethyl)-5-[(3R)-oxolan-3-yl]-1,3,4-oxadiazole?
The InChIKey is TWFBOFZNSPJJTE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-2-4-12-10(3-1)7-15-18(12)8-13-16-17-14(20-13)11-5-6-19-9-11/h1-4,7,11H,5-6,8-9H2/t11-/m1/s1.
What are the key properties of 2-(indazol-1-ylmethyl)-5-[(3R)-oxolan-3-yl]-1,3,4-oxadiazole?
2-(indazol-1-ylmethyl)-5-[(3R)-oxolan-3-yl]-1,3,4-oxadiazole has a molecular weight of 270.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(indazol-1-ylmethyl)-5-[(3R)-oxolan-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 129489687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).