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

C11H17N5O3 — CID 66193921

IUPAC3-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]-1,3-oxazolidin-2-one
SMILESCCCNCc1cn(CC(=O)N2CCOC2=O)nn1
InChIInChI=1S/C11H17N5O3/c1-2-3-12-6-9-7-15(14-13-9)8-10(17)16-4-5-19-11(16)18/h7,12H,2-6,8H2,1H3
InChIKeyFRMJUABDHGZDCR-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.24
Rot. Bonds6

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

3-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]-1,3-oxazolidin-2-one (PubChem CID 66193921) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]-1,3-oxazolidin-2-one
PubChem CID66193921
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name3-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]-1,3-oxazolidin-2-one
SMILESCCCNCc1cn(CC(=O)N2CCOC2=O)nn1
InChIInChI=1S/C11H17N5O3/c1-2-3-12-6-9-7-15(14-13-9)8-10(17)16-4-5-19-11(16)18/h7,12H,2-6,8H2,1H3
InChIKeyFRMJUABDHGZDCR-UHFFFAOYSA-N
XLogP-0.24
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 66193075
1-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]pyrrolidin-2-one
CID 66193160
N-ethyl-N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
CID 66194702
N-(methylcarbamoyl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
CID 66192957
2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-1-piperidin-1-ylethanone
CID 66206840
N-[(1-pentyltriazol-4-yl)methyl]propan-1-amine
CID 66194122
N,N-dimethyl-4-[4-(propylaminomethyl)triazol-1-yl]butanamide
CID 66193355
5-hydroxy-2-[[4-(propylaminomethyl)triazol-1-yl]methyl]pyran-4-one
CID 66191785
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
CID 66193137
2-[4-(methylaminomethyl)triazol-1-yl]-1-morpholin-4-ylethanone
CID 66215849
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(ethylaminomethyl)triazol-1-yl]ethanone
CID 66193325
N-[[1-(2-ethylsulfonylethyl)triazol-4-yl]methyl]propan-1-amine
CID 66194117

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]-1,3-oxazolidin-2-one (CID 66193921) is 3-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]-1,3-oxazolidin-2-one is CCCNCc1cn(CC(=O)N2CCOC2=O)nn1.
What is the InChIKey of 3-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]-1,3-oxazolidin-2-one?
The InChIKey is FRMJUABDHGZDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-2-3-12-6-9-7-15(14-13-9)8-10(17)16-4-5-19-11(16)18/h7,12H,2-6,8H2,1H3.
What are the key properties of 3-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]-1,3-oxazolidin-2-one?
3-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]-1,3-oxazolidin-2-one has a molecular weight of 267.29 g/mol, XLogP of -0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66193921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).