3-[3-(5-phenyltetrazol-2-yl)propyl]-1,3-oxazolidin-2-one

C13H15N5O2 — CID 47772331

IUPAC3-[3-(5-phenyltetrazol-2-yl)propyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C13H15N5O2/c19-13-17(9-10-20-13)7-4-8-18-15-12(14-16-18)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKeyOMIPKKYPOXXVLL-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.18
Rot. Bonds5

About 3-[3-(5-phenyltetrazol-2-yl)propyl]-1,3-oxazolidin-2-one

3-[3-(5-phenyltetrazol-2-yl)propyl]-1,3-oxazolidin-2-one (PubChem CID 47772331) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-[3-(5-phenyltetrazol-2-yl)propyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(5-phenyltetrazol-2-yl)propyl]-1,3-oxazolidin-2-one
PubChem CID47772331
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name3-[3-(5-phenyltetrazol-2-yl)propyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C13H15N5O2/c19-13-17(9-10-20-13)7-4-8-18-15-12(14-16-18)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKeyOMIPKKYPOXXVLL-UHFFFAOYSA-N
XLogP1.18
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-phenyltetrazol-2-yl)propyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(5-phenyltetrazol-2-yl)propyl]-1,3-oxazolidin-2-one (CID 47772331) is 3-[3-(5-phenyltetrazol-2-yl)propyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(5-phenyltetrazol-2-yl)propyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(5-phenyltetrazol-2-yl)propyl]-1,3-oxazolidin-2-one is O=C1OCCN1CCCn1nnc(-c2ccccc2)n1.
What is the InChIKey of 3-[3-(5-phenyltetrazol-2-yl)propyl]-1,3-oxazolidin-2-one?
The InChIKey is OMIPKKYPOXXVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c19-13-17(9-10-20-13)7-4-8-18-15-12(14-16-18)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2.
What are the key properties of 3-[3-(5-phenyltetrazol-2-yl)propyl]-1,3-oxazolidin-2-one?
3-[3-(5-phenyltetrazol-2-yl)propyl]-1,3-oxazolidin-2-one has a molecular weight of 273.30 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-phenyltetrazol-2-yl)propyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 47772331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).