(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 1H-indazole-3-carboxylate

C15H10N4O3S — CID 2651720

IUPAC(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 1H-indazole-3-carboxylate
SMILESO=C(OCc1nnc(-c2cccs2)o1)c1n[nH]c2ccccc12
InChIInChI=1S/C15H10N4O3S/c20-15(13-9-4-1-2-5-10(9)16-18-13)21-8-12-17-19-14(22-12)11-6-3-7-23-11/h1-7H,8H2,(H,16,18)
InChIKeySHOMFVHCXSQIBK-UHFFFAOYSA-N
MW326.34 g/mol
LogP3.03
Rot. Bonds4

About (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 1H-indazole-3-carboxylate

(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 1H-indazole-3-carboxylate (PubChem CID 2651720) has the molecular formula C15H10N4O3S and a molecular weight of 326.34 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 1H-indazole-3-carboxylate
PubChem CID2651720
Molecular FormulaC15H10N4O3S
Molecular Weight326.34 g/mol
Exact Mass326.05
IUPAC Name(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 1H-indazole-3-carboxylate
SMILESO=C(OCc1nnc(-c2cccs2)o1)c1n[nH]c2ccccc12
InChIInChI=1S/C15H10N4O3S/c20-15(13-9-4-1-2-5-10(9)16-18-13)21-8-12-17-19-14(22-12)11-6-3-7-23-11/h1-7H,8H2,(H,16,18)
InChIKeySHOMFVHCXSQIBK-UHFFFAOYSA-N
XLogP3.03
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate
CID 7372530
[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1H-indazole-3-carboxylate
CID 7372505
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate
CID 8792206
2-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide
CID 75390973
(4-chlorophenyl)methyl 1H-indazole-3-carboxylate
CID 2534607
2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017470
(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl 1H-indazole-3-carboxylate
CID 166205150
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate
CID 16588831
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanol
CID 43558918
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 2665035
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate
CID 41148663
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
CID 2651732

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 1H-indazole-3-carboxylate?
The IUPAC name of (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 1H-indazole-3-carboxylate (CID 2651720) is (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 1H-indazole-3-carboxylate.
What is the SMILES notation for (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 1H-indazole-3-carboxylate?
The canonical SMILES for (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 1H-indazole-3-carboxylate is O=C(OCc1nnc(-c2cccs2)o1)c1n[nH]c2ccccc12.
What is the InChIKey of (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 1H-indazole-3-carboxylate?
The InChIKey is SHOMFVHCXSQIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O3S/c20-15(13-9-4-1-2-5-10(9)16-18-13)21-8-12-17-19-14(22-12)11-6-3-7-23-11/h1-7H,8H2,(H,16,18).
What are the key properties of (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 1H-indazole-3-carboxylate?
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 1H-indazole-3-carboxylate has a molecular weight of 326.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 1H-indazole-3-carboxylate is sourced from PubChem (CID 2651720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).