(3R)-3-[3-[(tert-butylamino)methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide

C19H34N4O3 — CID 10109498

IUPAC(3R)-3-[3-[(tert-butylamino)methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide
SMILESCC(C)(C)NCc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C19H34N4O3/c1-19(2,3)20-13-16-21-18(26-23-16)15(12-17(24)22-25)11-7-10-14-8-5-4-6-9-14/h14-15,20,25H,4-13H2,1-3H3,(H,22,24)/t15-/m1/s1
InChIKeyVPOZTXQSZFMKDK-OAHLLOKOSA-N
MW366.51 g/mol
LogP3.69
Rot. Bonds9

About (3R)-3-[3-[(tert-butylamino)methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide

(3R)-3-[3-[(tert-butylamino)methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide (PubChem CID 10109498) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is (3R)-3-[3-[(tert-butylamino)methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide.

Molecular Properties

Compound Name(3R)-3-[3-[(tert-butylamino)methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide
PubChem CID10109498
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC Name(3R)-3-[3-[(tert-butylamino)methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide
SMILESCC(C)(C)NCc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C19H34N4O3/c1-19(2,3)20-13-16-21-18(26-23-16)15(12-17(24)22-25)11-7-10-14-8-5-4-6-9-14/h14-15,20,25H,4-13H2,1-3H3,(H,22,24)/t15-/m1/s1
InChIKeyVPOZTXQSZFMKDK-OAHLLOKOSA-N
XLogP3.69
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.69
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 (3R)-3-[3-[(tert-butylamino)methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide?
The IUPAC name of (3R)-3-[3-[(tert-butylamino)methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide (CID 10109498) is (3R)-3-[3-[(tert-butylamino)methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide.
What is the SMILES notation for (3R)-3-[3-[(tert-butylamino)methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide?
The canonical SMILES for (3R)-3-[3-[(tert-butylamino)methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide is CC(C)(C)NCc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1.
What is the InChIKey of (3R)-3-[3-[(tert-butylamino)methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide?
The InChIKey is VPOZTXQSZFMKDK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-19(2,3)20-13-16-21-18(26-23-16)15(12-17(24)22-25)11-7-10-14-8-5-4-6-9-14/h14-15,20,25H,4-13H2,1-3H3,(H,22,24)/t15-/m1/s1.
What are the key properties of (3R)-3-[3-[(tert-butylamino)methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide?
(3R)-3-[3-[(tert-butylamino)methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide has a molecular weight of 366.51 g/mol, XLogP of 3.69, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-[(tert-butylamino)methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide is sourced from PubChem (CID 10109498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).