tert-butyl 4-[3-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]propyl]piperazine-1-carboxylate

C28H34N4O4 — CID 55867174

IUPACtert-butyl 4-[3-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]propyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C28H34N4O4/c1-28(2,3)36-27(34)32-18-16-31(17-19-32)15-9-14-29-25(33)22-12-7-8-13-23(22)26-30-20-24(35-26)21-10-5-4-6-11-21/h4-8,10-13,20H,9,14-19H2,1-3H3,(H,29,33)
InChIKeyTUOZFHADDSSWGM-UHFFFAOYSA-N
MW490.60 g/mol
LogP4.68
Rot. Bonds7

About tert-butyl 4-[3-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]propyl]piperazine-1-carboxylate

tert-butyl 4-[3-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]propyl]piperazine-1-carboxylate (PubChem CID 55867174) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is tert-butyl 4-[3-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]propyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]propyl]piperazine-1-carboxylate
PubChem CID55867174
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC Nametert-butyl 4-[3-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]propyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C28H34N4O4/c1-28(2,3)36-27(34)32-18-16-31(17-19-32)15-9-14-29-25(33)22-12-7-8-13-23(22)26-30-20-24(35-26)21-10-5-4-6-11-21/h4-8,10-13,20H,9,14-19H2,1-3H3,(H,29,33)
InChIKeyTUOZFHADDSSWGM-UHFFFAOYSA-N
XLogP4.68
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[3-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]propyl]piperazine-1-carboxylate
CID 55736921
tert-butyl 4-[3-[(5-ethyl-1-phenylpyrazole-4-carbonyl)amino]propyl]piperazine-1-carboxylate
CID 55866016
N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 31813310
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447193
tert-butyl 4-[3-[[4-(1,3-oxazol-5-yl)benzoyl]amino]propyl]piperazine-1-carboxylate
CID 55912296
tert-butyl 4-[3-(1-benzothiophene-3-carbonylamino)propyl]piperazine-1-carboxylate
CID 60518444
tert-butyl 4-[3-[(4-oxo-4-phenylbutanoyl)amino]propyl]piperazine-1-carboxylate
CID 55866663
tert-butyl 4-[3-[(6-methylpyridine-2-carbonyl)amino]propyl]piperazine-1-carboxylate
CID 60518283
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide
CID 100513748
tert-butyl 4-[2-[(2-chloropyridine-3-carbonyl)amino]ethyl]piperazine-1-carboxylate
CID 138585805
tert-butyl 4-[3-[(3-aminopyrazine-2-carbonyl)amino]propyl]piperazine-1-carboxylate
CID 55736601
tert-butyl 4-[3-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]propyl]piperazine-1-carboxylate
CID 55867832

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]propyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]propyl]piperazine-1-carboxylate (CID 55867174) is tert-butyl 4-[3-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]propyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]propyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]propyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1.
What is the InChIKey of tert-butyl 4-[3-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]propyl]piperazine-1-carboxylate?
The InChIKey is TUOZFHADDSSWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-28(2,3)36-27(34)32-18-16-31(17-19-32)15-9-14-29-25(33)22-12-7-8-13-23(22)26-30-20-24(35-26)21-10-5-4-6-11-21/h4-8,10-13,20H,9,14-19H2,1-3H3,(H,29,33).
What are the key properties of tert-butyl 4-[3-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]propyl]piperazine-1-carboxylate?
tert-butyl 4-[3-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]propyl]piperazine-1-carboxylate has a molecular weight of 490.60 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]propyl]piperazine-1-carboxylate is sourced from PubChem (CID 55867174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).