(1-methyl-1,2,4-triazol-3-yl)-(1,2-oxazolidin-2-yl)methanone

C7H10N4O2 — CID 131084165

IUPAC(1-methyl-1,2,4-triazol-3-yl)-(1,2-oxazolidin-2-yl)methanone
SMILESCn1cnc(C(=O)N2CCCO2)n1
InChIInChI=1S/C7H10N4O2/c1-10-5-8-6(9-10)7(12)11-3-2-4-13-11/h5H,2-4H2,1H3
InChIKeyWVKLLIYJOXMGSZ-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.41
Rot. Bonds1

About (1-methyl-1,2,4-triazol-3-yl)-(1,2-oxazolidin-2-yl)methanone

(1-methyl-1,2,4-triazol-3-yl)-(1,2-oxazolidin-2-yl)methanone (PubChem CID 131084165) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is (1-methyl-1,2,4-triazol-3-yl)-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name(1-methyl-1,2,4-triazol-3-yl)-(1,2-oxazolidin-2-yl)methanone
PubChem CID131084165
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name(1-methyl-1,2,4-triazol-3-yl)-(1,2-oxazolidin-2-yl)methanone
SMILESCn1cnc(C(=O)N2CCCO2)n1
InChIInChI=1S/C7H10N4O2/c1-10-5-8-6(9-10)7(12)11-3-2-4-13-11/h5H,2-4H2,1H3
InChIKeyWVKLLIYJOXMGSZ-UHFFFAOYSA-N
XLogP-0.41
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-1,2,4-triazol-3-yl)-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of (1-methyl-1,2,4-triazol-3-yl)-(1,2-oxazolidin-2-yl)methanone (CID 131084165) is (1-methyl-1,2,4-triazol-3-yl)-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for (1-methyl-1,2,4-triazol-3-yl)-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for (1-methyl-1,2,4-triazol-3-yl)-(1,2-oxazolidin-2-yl)methanone is Cn1cnc(C(=O)N2CCCO2)n1.
What is the InChIKey of (1-methyl-1,2,4-triazol-3-yl)-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is WVKLLIYJOXMGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-10-5-8-6(9-10)7(12)11-3-2-4-13-11/h5H,2-4H2,1H3.
What are the key properties of (1-methyl-1,2,4-triazol-3-yl)-(1,2-oxazolidin-2-yl)methanone?
(1-methyl-1,2,4-triazol-3-yl)-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 182.18 g/mol, XLogP of -0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-1,2,4-triazol-3-yl)-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 131084165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).