tert-butyl N-[3-[(3S)-3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]carbamate

C17H28N4O5 — CID 100668916

About tert-butyl N-[3-[(3S)-3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]carbamate

tert-butyl N-[3-[(3S)-3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]carbamate (PubChem CID 100668916) has the molecular formula C17H28N4O5 and a molecular weight of 368.43 g/mol. Its IUPAC name is tert-butyl N-[3-[(3S)-3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[3-[(3S)-3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]carbamate
• PubChem CID: 100668916
• Molecular Formula: C17H28N4O5
• Molecular Weight: 368.43 g/mol
• Exact Mass: 368.21
• IUPAC Name: tert-butyl N-[3-[(3S)-3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]carbamate
• SMILES: CC(C)c1noc([C@]2(O)CCN(C(=O)CCNC(=O)OC(C)(C)C)C2)n1
• InChI: InChI=1S/C17H28N4O5/c1-11(2)13-19-14(26-20-13)17(24)7-9-21(10-17)12(22)6-8-18-15(23)25-16(3,4)5/h11,24H,6-10H2,1-5H3,(H,18,23)/t17-/m0/s1
• InChIKey: SMBOOJYCOAROBJ-KRWDZBQOSA-N
• XLogP: 1.53
• TPSA: 117.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.43
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3S)-3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]carbamate?

The IUPAC name of tert-butyl N-[3-[(3S)-3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]carbamate (CID 100668916) is tert-butyl N-[3-[(3S)-3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]carbamate.

What is the SMILES notation for tert-butyl N-[3-[(3S)-3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]carbamate?

The canonical SMILES for tert-butyl N-[3-[(3S)-3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]carbamate is CC(C)c1noc([C@]2(O)CCN(C(=O)CCNC(=O)OC(C)(C)C)C2)n1.

What is the InChIKey of tert-butyl N-[3-[(3S)-3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]carbamate?

The InChIKey is SMBOOJYCOAROBJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H28N4O5/c1-11(2)13-19-14(26-20-13)17(24)7-9-21(10-17)12(22)6-8-18-15(23)25-16(3,4)5/h11,24H,6-10H2,1-5H3,(H,18,23)/t17-/m0/s1.

What are the key properties of tert-butyl N-[3-[(3S)-3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]carbamate?

tert-butyl N-[3-[(3S)-3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]carbamate has a molecular weight of 368.43 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-[(3S)-3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]carbamate is sourced from PubChem (CID 100668916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).