3-(3-chlorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-amine

C16H16ClN5O2 — CID 154755872

IUPAC3-(3-chlorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-amine
SMILESCn1ccnc1[C@H]1OCC[C@@H]1Nc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C16H16ClN5O2/c1-22-7-6-18-15(22)13-12(5-8-23-13)19-16-20-14(21-24-16)10-3-2-4-11(17)9-10/h2-4,6-7,9,12-13H,5,8H2,1H3,(H,19,20,21)/t12-,13-/m0/s1
InChIKeyZWCCFNABKRWKRT-STQMWFEESA-N
MW345.79 g/mol
LogP3.07
Rot. Bonds4

About 3-(3-chlorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-amine

3-(3-chlorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-amine (PubChem CID 154755872) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-amine
PubChem CID154755872
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC Name3-(3-chlorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-amine
SMILESCn1ccnc1[C@H]1OCC[C@@H]1Nc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C16H16ClN5O2/c1-22-7-6-18-15(22)13-12(5-8-23-13)19-16-20-14(21-24-16)10-3-2-4-11(17)9-10/h2-4,6-7,9,12-13H,5,8H2,1H3,(H,19,20,21)/t12-,13-/m0/s1
InChIKeyZWCCFNABKRWKRT-STQMWFEESA-N
XLogP3.07
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3-chlorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-amine (CID 154755872) is 3-(3-chlorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-amine is Cn1ccnc1[C@H]1OCC[C@@H]1Nc1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-amine?
The InChIKey is ZWCCFNABKRWKRT-STQMWFEESA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-22-7-6-18-15(22)13-12(5-8-23-13)19-16-20-14(21-24-16)10-3-2-4-11(17)9-10/h2-4,6-7,9,12-13H,5,8H2,1H3,(H,19,20,21)/t12-,13-/m0/s1.
What are the key properties of 3-(3-chlorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-amine?
3-(3-chlorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-amine has a molecular weight of 345.79 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 154755872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).