(3R)-3-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide

C19H27N5O3 — CID 16748896

IUPAC(3R)-3-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide
SMILESNc1ccc(-c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)cn1
InChIInChI=1S/C19H27N5O3/c20-16-10-9-15(12-21-16)18-22-19(27-24-18)14(11-17(25)23-26)8-4-7-13-5-2-1-3-6-13/h9-10,12-14,26H,1-8,11H2,(H2,20,21)(H,23,25)/t14-/m1/s1
InChIKeyBSZZTCBCDSTIJT-CQSZACIVSA-N
MW373.46 g/mol
LogP3.44
Rot. Bonds8

About (3R)-3-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide

(3R)-3-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide (PubChem CID 16748896) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is (3R)-3-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide.

Molecular Properties

Compound Name(3R)-3-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide
PubChem CID16748896
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name(3R)-3-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide
SMILESNc1ccc(-c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)cn1
InChIInChI=1S/C19H27N5O3/c20-16-10-9-15(12-21-16)18-22-19(27-24-18)14(11-17(25)23-26)8-4-7-13-5-2-1-3-6-13/h9-10,12-14,26H,1-8,11H2,(H2,20,21)(H,23,25)/t14-/m1/s1
InChIKeyBSZZTCBCDSTIJT-CQSZACIVSA-N
XLogP3.44
TPSA127.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.44
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 (3R)-3-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide?
The IUPAC name of (3R)-3-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide (CID 16748896) is (3R)-3-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide.
What is the SMILES notation for (3R)-3-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide?
The canonical SMILES for (3R)-3-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide is Nc1ccc(-c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)cn1.
What is the InChIKey of (3R)-3-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide?
The InChIKey is BSZZTCBCDSTIJT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H27N5O3/c20-16-10-9-15(12-21-16)18-22-19(27-24-18)14(11-17(25)23-26)8-4-7-13-5-2-1-3-6-13/h9-10,12-14,26H,1-8,11H2,(H2,20,21)(H,23,25)/t14-/m1/s1.
What are the key properties of (3R)-3-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide?
(3R)-3-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide has a molecular weight of 373.46 g/mol, XLogP of 3.44, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide is sourced from PubChem (CID 16748896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).