3-(aminomethyl)-5-(1-propylindazol-3-yl)-1,3-oxazolidin-2-one

C14H18N4O2 — CID 57060862

IUPAC3-(aminomethyl)-5-(1-propylindazol-3-yl)-1,3-oxazolidin-2-one
SMILESCCCn1nc(C2CN(CN)C(=O)O2)c2ccccc21
InChIInChI=1S/C14H18N4O2/c1-2-7-18-11-6-4-3-5-10(11)13(16-18)12-8-17(9-15)14(19)20-12/h3-6,12H,2,7-9,15H2,1H3
InChIKeyHZGARADLIAXTHH-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.86
Rot. Bonds4

About 3-(aminomethyl)-5-(1-propylindazol-3-yl)-1,3-oxazolidin-2-one

3-(aminomethyl)-5-(1-propylindazol-3-yl)-1,3-oxazolidin-2-one (PubChem CID 57060862) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(aminomethyl)-5-(1-propylindazol-3-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-5-(1-propylindazol-3-yl)-1,3-oxazolidin-2-one
PubChem CID57060862
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-(aminomethyl)-5-(1-propylindazol-3-yl)-1,3-oxazolidin-2-one
SMILESCCCn1nc(C2CN(CN)C(=O)O2)c2ccccc21
InChIInChI=1S/C14H18N4O2/c1-2-7-18-11-6-4-3-5-10(11)13(16-18)12-8-17(9-15)14(19)20-12/h3-6,12H,2,7-9,15H2,1H3
InChIKeyHZGARADLIAXTHH-UHFFFAOYSA-N
XLogP1.86
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-(1-propylindazol-3-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(aminomethyl)-5-(1-propylindazol-3-yl)-1,3-oxazolidin-2-one (CID 57060862) is 3-(aminomethyl)-5-(1-propylindazol-3-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(aminomethyl)-5-(1-propylindazol-3-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(aminomethyl)-5-(1-propylindazol-3-yl)-1,3-oxazolidin-2-one is CCCn1nc(C2CN(CN)C(=O)O2)c2ccccc21.
What is the InChIKey of 3-(aminomethyl)-5-(1-propylindazol-3-yl)-1,3-oxazolidin-2-one?
The InChIKey is HZGARADLIAXTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-7-18-11-6-4-3-5-10(11)13(16-18)12-8-17(9-15)14(19)20-12/h3-6,12H,2,7-9,15H2,1H3.
What are the key properties of 3-(aminomethyl)-5-(1-propylindazol-3-yl)-1,3-oxazolidin-2-one?
3-(aminomethyl)-5-(1-propylindazol-3-yl)-1,3-oxazolidin-2-one has a molecular weight of 274.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-(1-propylindazol-3-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 57060862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).