tert-butyl N-[(5S)-5-(cyclobutylamino)-7-(1,2-oxazol-3-yloxy)-6-oxoheptyl]carbamate

C19H31N3O5 — CID 142307647

IUPACtert-butyl N-[(5S)-5-(cyclobutylamino)-7-(1,2-oxazol-3-yloxy)-6-oxoheptyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC[C@H](NC1CCC1)C(=O)COc1ccon1
InChIInChI=1S/C19H31N3O5/c1-19(2,3)27-18(24)20-11-5-4-9-15(21-14-7-6-8-14)16(23)13-25-17-10-12-26-22-17/h10,12,14-15,21H,4-9,11,13H2,1-3H3,(H,20,24)/t15-/m0/s1
InChIKeyRYWIOMRRABNHSZ-HNNXBMFYSA-N
MW381.47 g/mol
LogP2.83
Rot. Bonds11

About tert-butyl N-[(5S)-5-(cyclobutylamino)-7-(1,2-oxazol-3-yloxy)-6-oxoheptyl]carbamate

tert-butyl N-[(5S)-5-(cyclobutylamino)-7-(1,2-oxazol-3-yloxy)-6-oxoheptyl]carbamate (PubChem CID 142307647) has the molecular formula C19H31N3O5 and a molecular weight of 381.47 g/mol. Its IUPAC name is tert-butyl N-[(5S)-5-(cyclobutylamino)-7-(1,2-oxazol-3-yloxy)-6-oxoheptyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5S)-5-(cyclobutylamino)-7-(1,2-oxazol-3-yloxy)-6-oxoheptyl]carbamate
PubChem CID142307647
Molecular FormulaC19H31N3O5
Molecular Weight381.47 g/mol
Exact Mass381.23
IUPAC Nametert-butyl N-[(5S)-5-(cyclobutylamino)-7-(1,2-oxazol-3-yloxy)-6-oxoheptyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC[C@H](NC1CCC1)C(=O)COc1ccon1
InChIInChI=1S/C19H31N3O5/c1-19(2,3)27-18(24)20-11-5-4-9-15(21-14-7-6-8-14)16(23)13-25-17-10-12-26-22-17/h10,12,14-15,21H,4-9,11,13H2,1-3H3,(H,20,24)/t15-/m0/s1
InChIKeyRYWIOMRRABNHSZ-HNNXBMFYSA-N
XLogP2.83
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[(5S)-5-(cyclobutylamino)-7-(1,2-oxazol-3-yloxy)-6-oxoheptyl]carbamate 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-[(5S)-5-(cyclobutylamino)-7-(1,2-oxazol-3-yloxy)-6-oxoheptyl]carbamate?
The IUPAC name of tert-butyl N-[(5S)-5-(cyclobutylamino)-7-(1,2-oxazol-3-yloxy)-6-oxoheptyl]carbamate (CID 142307647) is tert-butyl N-[(5S)-5-(cyclobutylamino)-7-(1,2-oxazol-3-yloxy)-6-oxoheptyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5S)-5-(cyclobutylamino)-7-(1,2-oxazol-3-yloxy)-6-oxoheptyl]carbamate?
The canonical SMILES for tert-butyl N-[(5S)-5-(cyclobutylamino)-7-(1,2-oxazol-3-yloxy)-6-oxoheptyl]carbamate is CC(C)(C)OC(=O)NCCCC[C@H](NC1CCC1)C(=O)COc1ccon1.
What is the InChIKey of tert-butyl N-[(5S)-5-(cyclobutylamino)-7-(1,2-oxazol-3-yloxy)-6-oxoheptyl]carbamate?
The InChIKey is RYWIOMRRABNHSZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H31N3O5/c1-19(2,3)27-18(24)20-11-5-4-9-15(21-14-7-6-8-14)16(23)13-25-17-10-12-26-22-17/h10,12,14-15,21H,4-9,11,13H2,1-3H3,(H,20,24)/t15-/m0/s1.
What are the key properties of tert-butyl N-[(5S)-5-(cyclobutylamino)-7-(1,2-oxazol-3-yloxy)-6-oxoheptyl]carbamate?
tert-butyl N-[(5S)-5-(cyclobutylamino)-7-(1,2-oxazol-3-yloxy)-6-oxoheptyl]carbamate has a molecular weight of 381.47 g/mol, XLogP of 2.83, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5S)-5-(cyclobutylamino)-7-(1,2-oxazol-3-yloxy)-6-oxoheptyl]carbamate is sourced from PubChem (CID 142307647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).