3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one

C12H19N5O3 — CID 66193075

IUPAC3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one
SMILESCC(C)CNCc1cn(CC(=O)N2CCOC2=O)nn1
InChIInChI=1S/C12H19N5O3/c1-9(2)5-13-6-10-7-16(15-14-10)8-11(18)17-3-4-20-12(17)19/h7,9,13H,3-6,8H2,1-2H3
InChIKeyULQXBMDGXHPNJD-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.00
Rot. Bonds6

About 3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one

3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one (PubChem CID 66193075) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one
PubChem CID66193075
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one
SMILESCC(C)CNCc1cn(CC(=O)N2CCOC2=O)nn1
InChIInChI=1S/C12H19N5O3/c1-9(2)5-13-6-10-7-16(15-14-10)8-11(18)17-3-4-20-12(17)19/h7,9,13H,3-6,8H2,1-2H3
InChIKeyULQXBMDGXHPNJD-UHFFFAOYSA-N
XLogP0.00
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 66193921
methyl 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetate
CID 115876973
1-(2-methylpiperidin-1-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethanone
CID 66192287
1-(3-methylpiperidin-1-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethanone
CID 66192663
2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]-N,N-dipropylacetamide
CID 66193073
N-cyclopropyl-N-ethyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide
CID 66192880
2-methyl-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]propan-1-amine
CID 62425058
1-(azocan-1-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethanone
CID 66192997
1-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]pyrrolidin-2-one
CID 66193160
2-[4-(methylaminomethyl)triazol-1-yl]-1-morpholin-4-ylethanone
CID 66215849
5-[[4-[(2-methylpropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one
CID 107530869
2-methyl-N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66193441

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one (CID 66193075) is 3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one is CC(C)CNCc1cn(CC(=O)N2CCOC2=O)nn1.
What is the InChIKey of 3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one?
The InChIKey is ULQXBMDGXHPNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-9(2)5-13-6-10-7-16(15-14-10)8-11(18)17-3-4-20-12(17)19/h7,9,13H,3-6,8H2,1-2H3.
What are the key properties of 3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one?
3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one has a molecular weight of 281.32 g/mol, XLogP of 0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66193075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).