tert-butyl N-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-N-methylcarbamate

C16H25N5O3 — CID 71967935

IUPACtert-butyl N-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-N-methylcarbamate
SMILESCc1cc(-c2nc(CC(C)N(C)C(=O)OC(C)(C)C)no2)n(C)n1
InChIInChI=1S/C16H25N5O3/c1-10-8-12(21(7)18-10)14-17-13(19-24-14)9-11(2)20(6)15(22)23-16(3,4)5/h8,11H,9H2,1-7H3
InChIKeyTVRZUGARBJPPOH-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.58
Rot. Bonds4

About tert-butyl N-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-N-methylcarbamate

tert-butyl N-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-N-methylcarbamate (PubChem CID 71967935) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is tert-butyl N-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-N-methylcarbamate
PubChem CID71967935
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Nametert-butyl N-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-N-methylcarbamate
SMILESCc1cc(-c2nc(CC(C)N(C)C(=O)OC(C)(C)C)no2)n(C)n1
InChIInChI=1S/C16H25N5O3/c1-10-8-12(21(7)18-10)14-17-13(19-24-14)9-11(2)20(6)15(22)23-16(3,4)5/h8,11H,9H2,1-7H3
InChIKeyTVRZUGARBJPPOH-UHFFFAOYSA-N
XLogP2.58
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-N-methylcarbamate 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 tert-butyl N-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-N-methylcarbamate (CID 71967935) is tert-butyl N-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-N-methylcarbamate is Cc1cc(-c2nc(CC(C)N(C)C(=O)OC(C)(C)C)no2)n(C)n1.
What is the InChIKey of tert-butyl N-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-N-methylcarbamate?
The InChIKey is TVRZUGARBJPPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-10-8-12(21(7)18-10)14-17-13(19-24-14)9-11(2)20(6)15(22)23-16(3,4)5/h8,11H,9H2,1-7H3.
What are the key properties of tert-butyl N-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-N-methylcarbamate?
tert-butyl N-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-N-methylcarbamate has a molecular weight of 335.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 71967935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).