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

C10H10N4O2 — CID 66683084

IUPACbenzotriazol-1-yl(1,3-oxazolidin-3-yl)methanone
SMILESO=C(N1CCOC1)n1nnc2ccccc21
InChIInChI=1S/C10H10N4O2/c15-10(13-5-6-16-7-13)14-9-4-2-1-3-8(9)11-12-14/h1-4H,5-7H2
InChIKeySKFOACDTXOLLIB-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.69
Rot. Bonds

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

benzotriazol-1-yl(1,3-oxazolidin-3-yl)methanone (PubChem CID 66683084) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is benzotriazol-1-yl(1,3-oxazolidin-3-yl)methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl(1,3-oxazolidin-3-yl)methanone
PubChem CID66683084
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Namebenzotriazol-1-yl(1,3-oxazolidin-3-yl)methanone
SMILESO=C(N1CCOC1)n1nnc2ccccc21
InChIInChI=1S/C10H10N4O2/c15-10(13-5-6-16-7-13)14-9-4-2-1-3-8(9)11-12-14/h1-4H,5-7H2
InChIKeySKFOACDTXOLLIB-UHFFFAOYSA-N
XLogP0.69
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl(1,3-oxazolidin-3-yl)methanone?
The IUPAC name of benzotriazol-1-yl(1,3-oxazolidin-3-yl)methanone (CID 66683084) is benzotriazol-1-yl(1,3-oxazolidin-3-yl)methanone.
What is the SMILES notation for benzotriazol-1-yl(1,3-oxazolidin-3-yl)methanone?
The canonical SMILES for benzotriazol-1-yl(1,3-oxazolidin-3-yl)methanone is O=C(N1CCOC1)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl(1,3-oxazolidin-3-yl)methanone?
The InChIKey is SKFOACDTXOLLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c15-10(13-5-6-16-7-13)14-9-4-2-1-3-8(9)11-12-14/h1-4H,5-7H2.
What are the key properties of benzotriazol-1-yl(1,3-oxazolidin-3-yl)methanone?
benzotriazol-1-yl(1,3-oxazolidin-3-yl)methanone has a molecular weight of 218.22 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl(1,3-oxazolidin-3-yl)methanone is sourced from PubChem (CID 66683084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).