5-tert-butyl-N-[(2R)-2-[(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)amino]-3-hydroxypropyl]-1,3,4-oxadiazole-2-carboxamide

C17H26N6O5 — CID 126832908

IUPAC5-tert-butyl-N-[(2R)-2-[(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)amino]-3-hydroxypropyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)(C)c1nnc(C(=O)NC[C@H](CO)NC(=O)c2nnc(C(C)(C)C)o2)o1
InChIInChI=1S/C17H26N6O5/c1-16(2,3)14-22-20-12(27-14)10(25)18-7-9(8-24)19-11(26)13-21-23-15(28-13)17(4,5)6/h9,24H,7-8H2,1-6H3,(H,18,25)(H,19,26)/t9-/m1/s1
InChIKeyCPZHSTOXEPVXNM-SECBINFHSA-N
MW394.43 g/mol
LogP0.57
Rot. Bonds6

About 5-tert-butyl-N-[(2R)-2-[(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)amino]-3-hydroxypropyl]-1,3,4-oxadiazole-2-carboxamide

5-tert-butyl-N-[(2R)-2-[(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)amino]-3-hydroxypropyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 126832908) has the molecular formula C17H26N6O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is 5-tert-butyl-N-[(2R)-2-[(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)amino]-3-hydroxypropyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[(2R)-2-[(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)amino]-3-hydroxypropyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID126832908
Molecular FormulaC17H26N6O5
Molecular Weight394.43 g/mol
Exact Mass394.20
IUPAC Name5-tert-butyl-N-[(2R)-2-[(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)amino]-3-hydroxypropyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)(C)c1nnc(C(=O)NC[C@H](CO)NC(=O)c2nnc(C(C)(C)C)o2)o1
InChIInChI=1S/C17H26N6O5/c1-16(2,3)14-22-20-12(27-14)10(25)18-7-9(8-24)19-11(26)13-21-23-15(28-13)17(4,5)6/h9,24H,7-8H2,1-6H3,(H,18,25)(H,19,26)/t9-/m1/s1
InChIKeyCPZHSTOXEPVXNM-SECBINFHSA-N
XLogP0.57
TPSA156.27 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-tert-butyl-N-[(2R)-2-[(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)amino]-3-hydroxypropyl]-1,3,4-oxadiazole-2-carboxamide 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 5-tert-butyl-N-[(2R)-2-[(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)amino]-3-hydroxypropyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-[(2R)-2-[(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)amino]-3-hydroxypropyl]-1,3,4-oxadiazole-2-carboxamide (CID 126832908) is 5-tert-butyl-N-[(2R)-2-[(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)amino]-3-hydroxypropyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[(2R)-2-[(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)amino]-3-hydroxypropyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[(2R)-2-[(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)amino]-3-hydroxypropyl]-1,3,4-oxadiazole-2-carboxamide is CC(C)(C)c1nnc(C(=O)NC[C@H](CO)NC(=O)c2nnc(C(C)(C)C)o2)o1.
What is the InChIKey of 5-tert-butyl-N-[(2R)-2-[(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)amino]-3-hydroxypropyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is CPZHSTOXEPVXNM-SECBINFHSA-N. The full InChI is InChI=1S/C17H26N6O5/c1-16(2,3)14-22-20-12(27-14)10(25)18-7-9(8-24)19-11(26)13-21-23-15(28-13)17(4,5)6/h9,24H,7-8H2,1-6H3,(H,18,25)(H,19,26)/t9-/m1/s1.
What are the key properties of 5-tert-butyl-N-[(2R)-2-[(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)amino]-3-hydroxypropyl]-1,3,4-oxadiazole-2-carboxamide?
5-tert-butyl-N-[(2R)-2-[(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)amino]-3-hydroxypropyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(2R)-2-[(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)amino]-3-hydroxypropyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 126832908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).