1-[3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one

C14H17N5O3 — CID 167965373

IUPAC1-[3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one
SMILESNCCOCc1nc(-c2cccc(N3CCNC3=O)c2)no1
InChIInChI=1S/C14H17N5O3/c15-4-7-21-9-12-17-13(18-22-12)10-2-1-3-11(8-10)19-6-5-16-14(19)20/h1-3,8H,4-7,9,15H2,(H,16,20)
InChIKeyBALKFSUSXFDSNQ-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.74
Rot. Bonds6

About 1-[3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one

1-[3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one (PubChem CID 167965373) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-[3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one
PubChem CID167965373
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name1-[3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one
SMILESNCCOCc1nc(-c2cccc(N3CCNC3=O)c2)no1
InChIInChI=1S/C14H17N5O3/c15-4-7-21-9-12-17-13(18-22-12)10-2-1-3-11(8-10)19-6-5-16-14(19)20/h1-3,8H,4-7,9,15H2,(H,16,20)
InChIKeyBALKFSUSXFDSNQ-UHFFFAOYSA-N
XLogP0.74
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 103822428
2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 79463985
2-[[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 79463409
1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one
CID 126773739
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728498
2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 82736496
4-[3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-methylpiperazine-2,6-dione
CID 117485412
1-[3-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one
CID 126790123
4-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 36925300
2-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine
CID 116806808
5-(2-methoxyethoxymethyl)-3-phenyl-1,2,4-oxadiazole
CID 91572495
N-[(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 125160802

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one (CID 167965373) is 1-[3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one is NCCOCc1nc(-c2cccc(N3CCNC3=O)c2)no1.
What is the InChIKey of 1-[3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one?
The InChIKey is BALKFSUSXFDSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c15-4-7-21-9-12-17-13(18-22-12)10-2-1-3-11(8-10)19-6-5-16-14(19)20/h1-3,8H,4-7,9,15H2,(H,16,20).
What are the key properties of 1-[3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one?
1-[3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one has a molecular weight of 303.32 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 167965373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).