5-[2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1,3-oxazol-2-yl)-5-azaspiro[2.4]heptane-6-carboxamide

C18H26N4O5 — CID 138641112

IUPAC5-[2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1,3-oxazol-2-yl)-5-azaspiro[2.4]heptane-6-carboxamide
SMILESCCCCC(CC(=O)NO)C(=O)N1CC2(CC2)CC1C(=O)Nc1ncco1
InChIInChI=1S/C18H26N4O5/c1-2-3-4-12(9-14(23)21-26)16(25)22-11-18(5-6-18)10-13(22)15(24)20-17-19-7-8-27-17/h7-8,12-13,26H,2-6,9-11H2,1H3,(H,21,23)(H,19,20,24)
InChIKeyWXNPCOLFMTWMNO-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.70
Rot. Bonds8

About 5-[2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1,3-oxazol-2-yl)-5-azaspiro[2.4]heptane-6-carboxamide

5-[2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1,3-oxazol-2-yl)-5-azaspiro[2.4]heptane-6-carboxamide (PubChem CID 138641112) has the molecular formula C18H26N4O5 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-[2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1,3-oxazol-2-yl)-5-azaspiro[2.4]heptane-6-carboxamide.

Molecular Properties

Compound Name5-[2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1,3-oxazol-2-yl)-5-azaspiro[2.4]heptane-6-carboxamide
PubChem CID138641112
Molecular FormulaC18H26N4O5
Molecular Weight378.43 g/mol
Exact Mass378.19
IUPAC Name5-[2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1,3-oxazol-2-yl)-5-azaspiro[2.4]heptane-6-carboxamide
SMILESCCCCC(CC(=O)NO)C(=O)N1CC2(CC2)CC1C(=O)Nc1ncco1
InChIInChI=1S/C18H26N4O5/c1-2-3-4-12(9-14(23)21-26)16(25)22-11-18(5-6-18)10-13(22)15(24)20-17-19-7-8-27-17/h7-8,12-13,26H,2-6,9-11H2,1H3,(H,21,23)(H,19,20,24)
InChIKeyWXNPCOLFMTWMNO-UHFFFAOYSA-N
XLogP1.70
TPSA124.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 5-[2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1,3-oxazol-2-yl)-5-azaspiro[2.4]heptane-6-carboxamide?
The IUPAC name of 5-[2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1,3-oxazol-2-yl)-5-azaspiro[2.4]heptane-6-carboxamide (CID 138641112) is 5-[2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1,3-oxazol-2-yl)-5-azaspiro[2.4]heptane-6-carboxamide.
What is the SMILES notation for 5-[2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1,3-oxazol-2-yl)-5-azaspiro[2.4]heptane-6-carboxamide?
The canonical SMILES for 5-[2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1,3-oxazol-2-yl)-5-azaspiro[2.4]heptane-6-carboxamide is CCCCC(CC(=O)NO)C(=O)N1CC2(CC2)CC1C(=O)Nc1ncco1.
What is the InChIKey of 5-[2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1,3-oxazol-2-yl)-5-azaspiro[2.4]heptane-6-carboxamide?
The InChIKey is WXNPCOLFMTWMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5/c1-2-3-4-12(9-14(23)21-26)16(25)22-11-18(5-6-18)10-13(22)15(24)20-17-19-7-8-27-17/h7-8,12-13,26H,2-6,9-11H2,1H3,(H,21,23)(H,19,20,24).
What are the key properties of 5-[2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1,3-oxazol-2-yl)-5-azaspiro[2.4]heptane-6-carboxamide?
5-[2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1,3-oxazol-2-yl)-5-azaspiro[2.4]heptane-6-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 1.70, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1,3-oxazol-2-yl)-5-azaspiro[2.4]heptane-6-carboxamide is sourced from PubChem (CID 138641112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).