benzotriazol-1-yl-(2,2-dimethyl-1,3-oxazolidin-3-yl)methanone

C12H14N4O2 — CID 66682845

IUPACbenzotriazol-1-yl-(2,2-dimethyl-1,3-oxazolidin-3-yl)methanone
SMILESCC1(C)OCCN1C(=O)n1nnc2ccccc21
InChIInChI=1S/C12H14N4O2/c1-12(2)15(7-8-18-12)11(17)16-10-6-4-3-5-9(10)13-14-16/h3-6H,7-8H2,1-2H3
InChIKeyAZCIMIBMAANLMT-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.47
Rot. Bonds

About benzotriazol-1-yl-(2,2-dimethyl-1,3-oxazolidin-3-yl)methanone

benzotriazol-1-yl-(2,2-dimethyl-1,3-oxazolidin-3-yl)methanone (PubChem CID 66682845) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is benzotriazol-1-yl-(2,2-dimethyl-1,3-oxazolidin-3-yl)methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl-(2,2-dimethyl-1,3-oxazolidin-3-yl)methanone
PubChem CID66682845
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Namebenzotriazol-1-yl-(2,2-dimethyl-1,3-oxazolidin-3-yl)methanone
SMILESCC1(C)OCCN1C(=O)n1nnc2ccccc21
InChIInChI=1S/C12H14N4O2/c1-12(2)15(7-8-18-12)11(17)16-10-6-4-3-5-9(10)13-14-16/h3-6H,7-8H2,1-2H3
InChIKeyAZCIMIBMAANLMT-UHFFFAOYSA-N
XLogP1.47
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-(2,2-dimethyl-1,3-oxazolidin-3-yl)methanone?
The IUPAC name of benzotriazol-1-yl-(2,2-dimethyl-1,3-oxazolidin-3-yl)methanone (CID 66682845) is benzotriazol-1-yl-(2,2-dimethyl-1,3-oxazolidin-3-yl)methanone.
What is the SMILES notation for benzotriazol-1-yl-(2,2-dimethyl-1,3-oxazolidin-3-yl)methanone?
The canonical SMILES for benzotriazol-1-yl-(2,2-dimethyl-1,3-oxazolidin-3-yl)methanone is CC1(C)OCCN1C(=O)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl-(2,2-dimethyl-1,3-oxazolidin-3-yl)methanone?
The InChIKey is AZCIMIBMAANLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-12(2)15(7-8-18-12)11(17)16-10-6-4-3-5-9(10)13-14-16/h3-6H,7-8H2,1-2H3.
What are the key properties of benzotriazol-1-yl-(2,2-dimethyl-1,3-oxazolidin-3-yl)methanone?
benzotriazol-1-yl-(2,2-dimethyl-1,3-oxazolidin-3-yl)methanone has a molecular weight of 246.27 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl-(2,2-dimethyl-1,3-oxazolidin-3-yl)methanone is sourced from PubChem (CID 66682845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).