3-(2-amino-4-chloro-5-propan-2-yloxyphenyl)-5-tert-butyl-1,3,4-oxadiazol-2-one

C15H20ClN3O3 — CID 154112617

IUPAC3-(2-amino-4-chloro-5-propan-2-yloxyphenyl)-5-tert-butyl-1,3,4-oxadiazol-2-one
SMILESCC(C)Oc1cc(-n2nc(C(C)(C)C)oc2=O)c(N)cc1Cl
InChIInChI=1S/C15H20ClN3O3/c1-8(2)21-12-7-11(10(17)6-9(12)16)19-14(20)22-13(18-19)15(3,4)5/h6-8H,17H2,1-5H3
InChIKeyHCYOGSUJUCVOAZ-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.15
Rot. Bonds3

About 3-(2-amino-4-chloro-5-propan-2-yloxyphenyl)-5-tert-butyl-1,3,4-oxadiazol-2-one

3-(2-amino-4-chloro-5-propan-2-yloxyphenyl)-5-tert-butyl-1,3,4-oxadiazol-2-one (PubChem CID 154112617) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is 3-(2-amino-4-chloro-5-propan-2-yloxyphenyl)-5-tert-butyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-(2-amino-4-chloro-5-propan-2-yloxyphenyl)-5-tert-butyl-1,3,4-oxadiazol-2-one
PubChem CID154112617
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name3-(2-amino-4-chloro-5-propan-2-yloxyphenyl)-5-tert-butyl-1,3,4-oxadiazol-2-one
SMILESCC(C)Oc1cc(-n2nc(C(C)(C)C)oc2=O)c(N)cc1Cl
InChIInChI=1S/C15H20ClN3O3/c1-8(2)21-12-7-11(10(17)6-9(12)16)19-14(20)22-13(18-19)15(3,4)5/h6-8H,17H2,1-5H3
InChIKeyHCYOGSUJUCVOAZ-UHFFFAOYSA-N
XLogP3.15
TPSA83.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(2-amino-4-chloro-5-propan-2-yloxyphenyl)-5-tert-butyl-1,3,4-oxadiazol-2-one 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-(2-amino-4-chloro-5-propan-2-yloxyphenyl)-5-tert-butyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-(2-amino-4-chloro-5-propan-2-yloxyphenyl)-5-tert-butyl-1,3,4-oxadiazol-2-one (CID 154112617) is 3-(2-amino-4-chloro-5-propan-2-yloxyphenyl)-5-tert-butyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-(2-amino-4-chloro-5-propan-2-yloxyphenyl)-5-tert-butyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-(2-amino-4-chloro-5-propan-2-yloxyphenyl)-5-tert-butyl-1,3,4-oxadiazol-2-one is CC(C)Oc1cc(-n2nc(C(C)(C)C)oc2=O)c(N)cc1Cl.
What is the InChIKey of 3-(2-amino-4-chloro-5-propan-2-yloxyphenyl)-5-tert-butyl-1,3,4-oxadiazol-2-one?
The InChIKey is HCYOGSUJUCVOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-8(2)21-12-7-11(10(17)6-9(12)16)19-14(20)22-13(18-19)15(3,4)5/h6-8H,17H2,1-5H3.
What are the key properties of 3-(2-amino-4-chloro-5-propan-2-yloxyphenyl)-5-tert-butyl-1,3,4-oxadiazol-2-one?
3-(2-amino-4-chloro-5-propan-2-yloxyphenyl)-5-tert-butyl-1,3,4-oxadiazol-2-one has a molecular weight of 325.80 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-chloro-5-propan-2-yloxyphenyl)-5-tert-butyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 154112617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).