5-(4-bromophenyl)-2-[(3R)-oxolan-3-yl]tetrazole

C11H11BrN4O — CID 99790878

IUPAC5-(4-bromophenyl)-2-[(3R)-oxolan-3-yl]tetrazole
SMILESBrc1ccc(-c2nnn([C@@H]3CCOC3)n2)cc1
InChIInChI=1S/C11H11BrN4O/c12-9-3-1-8(2-4-9)11-13-15-16(14-11)10-5-6-17-7-10/h1-4,10H,5-7H2/t10-/m1/s1
InChIKeyTVBWRLSVPQPMTH-SNVBAGLBSA-N
MW295.14 g/mol
LogP2.06
Rot. Bonds2

About 5-(4-bromophenyl)-2-[(3R)-oxolan-3-yl]tetrazole

5-(4-bromophenyl)-2-[(3R)-oxolan-3-yl]tetrazole (PubChem CID 99790878) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-[(3R)-oxolan-3-yl]tetrazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-[(3R)-oxolan-3-yl]tetrazole
PubChem CID99790878
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name5-(4-bromophenyl)-2-[(3R)-oxolan-3-yl]tetrazole
SMILESBrc1ccc(-c2nnn([C@@H]3CCOC3)n2)cc1
InChIInChI=1S/C11H11BrN4O/c12-9-3-1-8(2-4-9)11-13-15-16(14-11)10-5-6-17-7-10/h1-4,10H,5-7H2/t10-/m1/s1
InChIKeyTVBWRLSVPQPMTH-SNVBAGLBSA-N
XLogP2.06
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-[(3R)-oxolan-3-yl]tetrazole?
The IUPAC name of 5-(4-bromophenyl)-2-[(3R)-oxolan-3-yl]tetrazole (CID 99790878) is 5-(4-bromophenyl)-2-[(3R)-oxolan-3-yl]tetrazole.
What is the SMILES notation for 5-(4-bromophenyl)-2-[(3R)-oxolan-3-yl]tetrazole?
The canonical SMILES for 5-(4-bromophenyl)-2-[(3R)-oxolan-3-yl]tetrazole is Brc1ccc(-c2nnn([C@@H]3CCOC3)n2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-2-[(3R)-oxolan-3-yl]tetrazole?
The InChIKey is TVBWRLSVPQPMTH-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11BrN4O/c12-9-3-1-8(2-4-9)11-13-15-16(14-11)10-5-6-17-7-10/h1-4,10H,5-7H2/t10-/m1/s1.
What are the key properties of 5-(4-bromophenyl)-2-[(3R)-oxolan-3-yl]tetrazole?
5-(4-bromophenyl)-2-[(3R)-oxolan-3-yl]tetrazole has a molecular weight of 295.14 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-[(3R)-oxolan-3-yl]tetrazole is sourced from PubChem (CID 99790878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).