2-(2H-tetrazol-5-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)-6-oxaspiro[2.5]octane-2-carboxamide

C14H20F3N5O2 — CID 166312258

IUPAC2-(2H-tetrazol-5-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)-6-oxaspiro[2.5]octane-2-carboxamide
SMILESCC(C)C(NC(=O)C1(c2nn[nH]n2)CC12CCOCC2)C(F)(F)F
InChIInChI=1S/C14H20F3N5O2/c1-8(2)9(14(15,16)17)18-11(23)13(10-19-21-22-20-10)7-12(13)3-5-24-6-4-12/h8-9H,3-7H2,1-2H3,(H,18,23)(H,19,20,21,22)
InChIKeyRRJIYIKTVZSJRG-UHFFFAOYSA-N
MW347.34 g/mol
LogP1.34
Rot. Bonds4

About 2-(2H-tetrazol-5-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)-6-oxaspiro[2.5]octane-2-carboxamide

2-(2H-tetrazol-5-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)-6-oxaspiro[2.5]octane-2-carboxamide (PubChem CID 166312258) has the molecular formula C14H20F3N5O2 and a molecular weight of 347.34 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)-6-oxaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)-6-oxaspiro[2.5]octane-2-carboxamide
PubChem CID166312258
Molecular FormulaC14H20F3N5O2
Molecular Weight347.34 g/mol
Exact Mass347.16
IUPAC Name2-(2H-tetrazol-5-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)-6-oxaspiro[2.5]octane-2-carboxamide
SMILESCC(C)C(NC(=O)C1(c2nn[nH]n2)CC12CCOCC2)C(F)(F)F
InChIInChI=1S/C14H20F3N5O2/c1-8(2)9(14(15,16)17)18-11(23)13(10-19-21-22-20-10)7-12(13)3-5-24-6-4-12/h8-9H,3-7H2,1-2H3,(H,18,23)(H,19,20,21,22)
InChIKeyRRJIYIKTVZSJRG-UHFFFAOYSA-N
XLogP1.34
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)-6-oxaspiro[2.5]octane-2-carboxamide?
The IUPAC name of 2-(2H-tetrazol-5-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)-6-oxaspiro[2.5]octane-2-carboxamide (CID 166312258) is 2-(2H-tetrazol-5-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)-6-oxaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)-6-oxaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for 2-(2H-tetrazol-5-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)-6-oxaspiro[2.5]octane-2-carboxamide is CC(C)C(NC(=O)C1(c2nn[nH]n2)CC12CCOCC2)C(F)(F)F.
What is the InChIKey of 2-(2H-tetrazol-5-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)-6-oxaspiro[2.5]octane-2-carboxamide?
The InChIKey is RRJIYIKTVZSJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O2/c1-8(2)9(14(15,16)17)18-11(23)13(10-19-21-22-20-10)7-12(13)3-5-24-6-4-12/h8-9H,3-7H2,1-2H3,(H,18,23)(H,19,20,21,22).
What are the key properties of 2-(2H-tetrazol-5-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)-6-oxaspiro[2.5]octane-2-carboxamide?
2-(2H-tetrazol-5-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)-6-oxaspiro[2.5]octane-2-carboxamide has a molecular weight of 347.34 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)-6-oxaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 166312258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).