5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide

C21H29N5O4 — CID 10273315

IUPAC5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(C[C@@H](CCCC1CCCCC1)c1nc(C(=O)NCc2ccccn2)no1)NO
InChIInChI=1S/C21H29N5O4/c27-18(25-29)13-16(10-6-9-15-7-2-1-3-8-15)21-24-19(26-30-21)20(28)23-14-17-11-4-5-12-22-17/h4-5,11-12,15-16,29H,1-3,6-10,13-14H2,(H,23,28)(H,25,27)/t16-/m1/s1
InChIKeyQYMZESBXBCDLLC-MRXNPFEDSA-N
MW415.49 g/mol
LogP3.12
Rot. Bonds10

About 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide

5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 10273315) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID10273315
Molecular FormulaC21H29N5O4
Molecular Weight415.49 g/mol
Exact Mass415.22
IUPAC Name5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(C[C@@H](CCCC1CCCCC1)c1nc(C(=O)NCc2ccccn2)no1)NO
InChIInChI=1S/C21H29N5O4/c27-18(25-29)13-16(10-6-9-15-7-2-1-3-8-15)21-24-19(26-30-21)20(28)23-14-17-11-4-5-12-22-17/h4-5,11-12,15-16,29H,1-3,6-10,13-14H2,(H,23,28)(H,25,27)/t16-/m1/s1
InChIKeyQYMZESBXBCDLLC-MRXNPFEDSA-N
XLogP3.12
TPSA130.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide (CID 10273315) is 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide is O=C(C[C@@H](CCCC1CCCCC1)c1nc(C(=O)NCc2ccccn2)no1)NO.
What is the InChIKey of 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is QYMZESBXBCDLLC-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H29N5O4/c27-18(25-29)13-16(10-6-9-15-7-2-1-3-8-15)21-24-19(26-30-21)20(28)23-14-17-11-4-5-12-22-17/h4-5,11-12,15-16,29H,1-3,6-10,13-14H2,(H,23,28)(H,25,27)/t16-/m1/s1.
What are the key properties of 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide?
5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 3.12, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 10273315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).