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

C16H11N3O3S — CID 7372530

IUPAC(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate
SMILESO=C(OCc1coc(-c2cccs2)n1)c1n[nH]c2ccccc12
InChIInChI=1S/C16H11N3O3S/c20-16(14-11-4-1-2-5-12(11)18-19-14)22-9-10-8-21-15(17-10)13-6-3-7-23-13/h1-8H,9H2,(H,18,19)
InChIKeyRRPOKRKUWABFTJ-UHFFFAOYSA-N
MW325.35 g/mol
LogP3.64
Rot. Bonds4

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

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate (PubChem CID 7372530) has the molecular formula C16H11N3O3S and a molecular weight of 325.35 g/mol. Its IUPAC name is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate
PubChem CID7372530
Molecular FormulaC16H11N3O3S
Molecular Weight325.35 g/mol
Exact Mass325.05
IUPAC Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate
SMILESO=C(OCc1coc(-c2cccs2)n1)c1n[nH]c2ccccc12
InChIInChI=1S/C16H11N3O3S/c20-16(14-11-4-1-2-5-12(11)18-19-14)22-9-10-8-21-15(17-10)13-6-3-7-23-13/h1-8H,9H2,(H,18,19)
InChIKeyRRPOKRKUWABFTJ-UHFFFAOYSA-N
XLogP3.64
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate?
The IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate (CID 7372530) is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate.
What is the SMILES notation for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate?
The canonical SMILES for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate is O=C(OCc1coc(-c2cccs2)n1)c1n[nH]c2ccccc12.
What is the InChIKey of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate?
The InChIKey is RRPOKRKUWABFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3S/c20-16(14-11-4-1-2-5-12(11)18-19-14)22-9-10-8-21-15(17-10)13-6-3-7-23-13/h1-8H,9H2,(H,18,19).
What are the key properties of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate?
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate has a molecular weight of 325.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate is sourced from PubChem (CID 7372530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).