tert-butyl-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid

C16H26N4O4 — CID 66951146

About tert-butyl-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid

tert-butyl-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid (PubChem CID 66951146) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid.

Molecular Properties

• Compound Name: tert-butyl-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid
• PubChem CID: 66951146
• Molecular Formula: C16H26N4O4
• Molecular Weight: 338.41 g/mol
• Exact Mass: 338.20
• IUPAC Name: tert-butyl-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid
• SMILES: CC(C)(C)[C@@H](c1nnc(NC(=O)C2CC2)o1)N(C(=O)O)C(C)(C)C
• InChI: InChI=1S/C16H26N4O4/c1-15(2,3)10(20(14(22)23)16(4,5)6)12-18-19-13(24-12)17-11(21)9-7-8-9/h9-10H,7-8H2,1-6H3,(H,22,23)(H,17,19,21)/t10-/m1/s1
• InChIKey: GBEALLDJHSCFRJ-SNVBAGLBSA-N
• XLogP: 3.28
• TPSA: 108.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.41
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid?

The IUPAC name of tert-butyl-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid (CID 66951146) is tert-butyl-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid.

What is the SMILES notation for tert-butyl-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid?

The canonical SMILES for tert-butyl-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid is CC(C)(C)[C@@H](c1nnc(NC(=O)C2CC2)o1)N(C(=O)O)C(C)(C)C.

What is the InChIKey of tert-butyl-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid?

The InChIKey is GBEALLDJHSCFRJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-15(2,3)10(20(14(22)23)16(4,5)6)12-18-19-13(24-12)17-11(21)9-7-8-9/h9-10H,7-8H2,1-6H3,(H,22,23)(H,17,19,21)/t10-/m1/s1.

What are the key properties of tert-butyl-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid?

tert-butyl-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid has a molecular weight of 338.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(1S)-1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid is sourced from PubChem (CID 66951146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).