N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-5-azaspiro[2.4]heptane-6-carboxamide

C24H36N4O5 — CID 138607301

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-5-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-5-azaspiro[2.4]heptane-6-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CC3(CC3)CN2C(=O)C(CC2CCCC2)CN(O)C=O)no1
InChIInChI=1S/C24H36N4O5/c1-23(2,3)19-11-20(26-33-19)25-21(30)18-12-24(8-9-24)14-28(18)22(31)17(13-27(32)15-29)10-16-6-4-5-7-16/h11,15-18,32H,4-10,12-14H2,1-3H3,(H,25,26,30)
InChIKeyFDULHEIJGWNSLU-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.34
Rot. Bonds8

About N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-5-azaspiro[2.4]heptane-6-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-5-azaspiro[2.4]heptane-6-carboxamide (PubChem CID 138607301) has the molecular formula C24H36N4O5 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-5-azaspiro[2.4]heptane-6-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-5-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-5-azaspiro[2.4]heptane-6-carboxamide
PubChem CID138607301
Molecular FormulaC24H36N4O5
Molecular Weight460.58 g/mol
Exact Mass460.27
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-5-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-5-azaspiro[2.4]heptane-6-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CC3(CC3)CN2C(=O)C(CC2CCCC2)CN(O)C=O)no1
InChIInChI=1S/C24H36N4O5/c1-23(2,3)19-11-20(26-33-19)25-21(30)18-12-24(8-9-24)14-28(18)22(31)17(13-27(32)15-29)10-16-6-4-5-7-16/h11,15-18,32H,4-10,12-14H2,1-3H3,(H,25,26,30)
InChIKeyFDULHEIJGWNSLU-UHFFFAOYSA-N
XLogP3.34
TPSA115.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-5-azaspiro[2.4]heptane-6-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-5-azaspiro[2.4]heptane-6-carboxamide (CID 138607301) is N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-5-azaspiro[2.4]heptane-6-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-5-azaspiro[2.4]heptane-6-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-5-azaspiro[2.4]heptane-6-carboxamide is CC(C)(C)c1cc(NC(=O)C2CC3(CC3)CN2C(=O)C(CC2CCCC2)CN(O)C=O)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-5-azaspiro[2.4]heptane-6-carboxamide?
The InChIKey is FDULHEIJGWNSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O5/c1-23(2,3)19-11-20(26-33-19)25-21(30)18-12-24(8-9-24)14-28(18)22(31)17(13-27(32)15-29)10-16-6-4-5-7-16/h11,15-18,32H,4-10,12-14H2,1-3H3,(H,25,26,30).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-5-azaspiro[2.4]heptane-6-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-5-azaspiro[2.4]heptane-6-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-5-azaspiro[2.4]heptane-6-carboxamide is sourced from PubChem (CID 138607301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).