ethyl 5-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylate

C22H30N4O5 — CID 10202978

IUPACethyl 5-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(-c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)c1
InChIInChI=1S/C22H30N4O5/c1-2-30-22(28)18-11-17(13-23-14-18)20-24-21(31-26-20)16(12-19(27)25-29)10-6-9-15-7-4-3-5-8-15/h11,13-16,29H,2-10,12H2,1H3,(H,25,27)/t16-/m1/s1
InChIKeyXIYNNLLLLPFZMB-MRXNPFEDSA-N
MW430.51 g/mol
LogP4.04
Rot. Bonds10

About ethyl 5-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylate

ethyl 5-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylate (PubChem CID 10202978) has the molecular formula C22H30N4O5 and a molecular weight of 430.51 g/mol. Its IUPAC name is ethyl 5-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylate
PubChem CID10202978
Molecular FormulaC22H30N4O5
Molecular Weight430.51 g/mol
Exact Mass430.22
IUPAC Nameethyl 5-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(-c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)c1
InChIInChI=1S/C22H30N4O5/c1-2-30-22(28)18-11-17(13-23-14-18)20-24-21(31-26-20)16(12-19(27)25-29)10-6-9-15-7-4-3-5-8-15/h11,13-16,29H,2-10,12H2,1H3,(H,25,27)/t16-/m1/s1
InChIKeyXIYNNLLLLPFZMB-MRXNPFEDSA-N
XLogP4.04
TPSA127.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 ethyl 5-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylate (CID 10202978) is ethyl 5-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylate is CCOC(=O)c1cncc(-c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)c1.
What is the InChIKey of ethyl 5-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylate?
The InChIKey is XIYNNLLLLPFZMB-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H30N4O5/c1-2-30-22(28)18-11-17(13-23-14-18)20-24-21(31-26-20)16(12-19(27)25-29)10-6-9-15-7-4-3-5-8-15/h11,13-16,29H,2-10,12H2,1H3,(H,25,27)/t16-/m1/s1.
What are the key properties of ethyl 5-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylate?
ethyl 5-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylate has a molecular weight of 430.51 g/mol, XLogP of 4.04, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylate is sourced from PubChem (CID 10202978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).