3-(2H-benzotriazol-4-yl)-1,3-oxazolidin-2-one

C9H8N4O2 — CID 19753243

IUPAC3-(2H-benzotriazol-4-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cccc2n[nH]nc12
InChIInChI=1S/C9H8N4O2/c14-9-13(4-5-15-9)7-3-1-2-6-8(7)11-12-10-6/h1-3H,4-5H2,(H,10,11,12)
InChIKeyVELIYQKFMHNDAW-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.91
Rot. Bonds1

About 3-(2H-benzotriazol-4-yl)-1,3-oxazolidin-2-one

3-(2H-benzotriazol-4-yl)-1,3-oxazolidin-2-one (PubChem CID 19753243) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 3-(2H-benzotriazol-4-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2H-benzotriazol-4-yl)-1,3-oxazolidin-2-one
PubChem CID19753243
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name3-(2H-benzotriazol-4-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cccc2n[nH]nc12
InChIInChI=1S/C9H8N4O2/c14-9-13(4-5-15-9)7-3-1-2-6-8(7)11-12-10-6/h1-3H,4-5H2,(H,10,11,12)
InChIKeyVELIYQKFMHNDAW-UHFFFAOYSA-N
XLogP0.91
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-1H-1,2,3-benzotriazol-4-yl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 72866823
1-(2-Carbamyloxyethyl)benzotriazole
CID 25813
(5S)-5-(aminomethyl)-3-[4-(benzotriazol-2-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 11544412
(5R)-5-(azidomethyl)-3-[4-(benzotriazol-2-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 11617301
(5R)-5-(azidomethyl)-3-[4-(benzotriazol-1-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 11631703
5,7-di(prop-2-en-1-yl)-5,7-dihydroimidazo[4,5-f]benzotriazol-6(1H)-one
CID 6401786
Sbhgikoppsakcv-uhfffaoysa-
CID 21608823
4-(2,1,3-benzothiadiazolyl)-N-vinyloxycarbonylpiperazine
CID 14581394
Ethyl 3-[4-(1H-1,2,3-benzotriazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
CID 24969906
4-(2H-benzotriazol-4-yl)-4-methylmorpholin-4-ium
CID 53744244
Benzotriazol-1-yl-(2,2-dimethyl-1,3-oxazolidin-3-yl)methanone
CID 66682845
Benzotriazol-1-yl(1,3-oxazolidin-3-yl)methanone
CID 66683084

Frequently Asked Questions

What is the IUPAC name of 3-(2H-benzotriazol-4-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2H-benzotriazol-4-yl)-1,3-oxazolidin-2-one (CID 19753243) is 3-(2H-benzotriazol-4-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2H-benzotriazol-4-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2H-benzotriazol-4-yl)-1,3-oxazolidin-2-one is O=C1OCCN1c1cccc2n[nH]nc12.
What is the InChIKey of 3-(2H-benzotriazol-4-yl)-1,3-oxazolidin-2-one?
The InChIKey is VELIYQKFMHNDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c14-9-13(4-5-15-9)7-3-1-2-6-8(7)11-12-10-6/h1-3H,4-5H2,(H,10,11,12).
What are the key properties of 3-(2H-benzotriazol-4-yl)-1,3-oxazolidin-2-one?
3-(2H-benzotriazol-4-yl)-1,3-oxazolidin-2-one has a molecular weight of 204.19 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-benzotriazol-4-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 19753243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).