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

C18H30N4O3 — CID 10132603

IUPAC(3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
SMILESO=C(C[C@@H](CCCC1CCCCC1)c1nc(CNC2CC2)no1)NO
InChIInChI=1S/C18H30N4O3/c23-17(21-24)11-14(8-4-7-13-5-2-1-3-6-13)18-20-16(22-25-18)12-19-15-9-10-15/h13-15,19,24H,1-12H2,(H,21,23)/t14-/m1/s1
InChIKeyQJFOXZKOYGQQLX-CQSZACIVSA-N
MW350.46 g/mol
LogP3.05
Rot. Bonds10

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

(3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide (PubChem CID 10132603) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
PubChem CID10132603
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name(3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
SMILESO=C(C[C@@H](CCCC1CCCCC1)c1nc(CNC2CC2)no1)NO
InChIInChI=1S/C18H30N4O3/c23-17(21-24)11-14(8-4-7-13-5-2-1-3-6-13)18-20-16(22-25-18)12-19-15-9-10-15/h13-15,19,24H,1-12H2,(H,21,23)/t14-/m1/s1
InChIKeyQJFOXZKOYGQQLX-CQSZACIVSA-N
XLogP3.05
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.05
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)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
The IUPAC name of (3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide (CID 10132603) is (3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide.
What is the SMILES notation for (3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
The canonical SMILES for (3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide is O=C(C[C@@H](CCCC1CCCCC1)c1nc(CNC2CC2)no1)NO.
What is the InChIKey of (3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
The InChIKey is QJFOXZKOYGQQLX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H30N4O3/c23-17(21-24)11-14(8-4-7-13-5-2-1-3-6-13)18-20-16(22-25-18)12-19-15-9-10-15/h13-15,19,24H,1-12H2,(H,21,23)/t14-/m1/s1.
What are the key properties of (3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
(3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide has a molecular weight of 350.46 g/mol, XLogP of 3.05, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-3-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide is sourced from PubChem (CID 10132603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).