tert-butyl N-[(1S)-1-[5-[3-(3-carbamoylfuran-2-yl)-5-(dipropylcarbamoyl)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate

C27H35N5O6 — CID 143127069

About tert-butyl N-[(1S)-1-[5-[3-(3-carbamoylfuran-2-yl)-5-(dipropylcarbamoyl)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate

tert-butyl N-[(1S)-1-[5-[3-(3-carbamoylfuran-2-yl)-5-(dipropylcarbamoyl)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate (PubChem CID 143127069) has the molecular formula C27H35N5O6 and a molecular weight of 525.61 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[5-[3-(3-carbamoylfuran-2-yl)-5-(dipropylcarbamoyl)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(1S)-1-[5-[3-(3-carbamoylfuran-2-yl)-5-(dipropylcarbamoyl)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate
• PubChem CID: 143127069
• Molecular Formula: C27H35N5O6
• Molecular Weight: 525.61 g/mol
• Exact Mass: 525.26
• IUPAC Name: tert-butyl N-[(1S)-1-[5-[3-(3-carbamoylfuran-2-yl)-5-(dipropylcarbamoyl)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate
• SMILES: CCCN(CCC)C(=O)c1cc(-c2nnc([C@H](C)NC(=O)OC(C)(C)C)o2)cc(-c2occc2C(N)=O)c1
• InChI: InChI=1S/C27H35N5O6/c1-7-10-32(11-8-2)25(34)19-14-17(21-20(22(28)33)9-12-36-21)13-18(15-19)24-31-30-23(37-24)16(3)29-26(35)38-27(4,5)6/h9,12-16H,7-8,10-11H2,1-6H3,(H2,28,33)(H,29,35)/t16-/m0/s1
• InChIKey: NXMCXFZELUIWRI-INIZCTEOSA-N
• XLogP: 4.94
• TPSA: 153.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.61
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[5-[3-(3-carbamoylfuran-2-yl)-5-(dipropylcarbamoyl)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate?

The IUPAC name of tert-butyl N-[(1S)-1-[5-[3-(3-carbamoylfuran-2-yl)-5-(dipropylcarbamoyl)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate (CID 143127069) is tert-butyl N-[(1S)-1-[5-[3-(3-carbamoylfuran-2-yl)-5-(dipropylcarbamoyl)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[(1S)-1-[5-[3-(3-carbamoylfuran-2-yl)-5-(dipropylcarbamoyl)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[(1S)-1-[5-[3-(3-carbamoylfuran-2-yl)-5-(dipropylcarbamoyl)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate is CCCN(CCC)C(=O)c1cc(-c2nnc([C@H](C)NC(=O)OC(C)(C)C)o2)cc(-c2occc2C(N)=O)c1.

What is the InChIKey of tert-butyl N-[(1S)-1-[5-[3-(3-carbamoylfuran-2-yl)-5-(dipropylcarbamoyl)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate?

The InChIKey is NXMCXFZELUIWRI-INIZCTEOSA-N. The full InChI is InChI=1S/C27H35N5O6/c1-7-10-32(11-8-2)25(34)19-14-17(21-20(22(28)33)9-12-36-21)13-18(15-19)24-31-30-23(37-24)16(3)29-26(35)38-27(4,5)6/h9,12-16H,7-8,10-11H2,1-6H3,(H2,28,33)(H,29,35)/t16-/m0/s1.

What are the key properties of tert-butyl N-[(1S)-1-[5-[3-(3-carbamoylfuran-2-yl)-5-(dipropylcarbamoyl)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate?

tert-butyl N-[(1S)-1-[5-[3-(3-carbamoylfuran-2-yl)-5-(dipropylcarbamoyl)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate has a molecular weight of 525.61 g/mol, XLogP of 4.94, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1S)-1-[5-[3-(3-carbamoylfuran-2-yl)-5-(dipropylcarbamoyl)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 143127069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).