(4R)-7-cyclohexyl-1-(hydroxyamino)-4-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]heptan-2-one

C21H30N4O3 — CID 10293538

IUPAC(4R)-7-cyclohexyl-1-(hydroxyamino)-4-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]heptan-2-one
SMILESO=C(CNO)C[C@@H](CCCC1CCCCC1)c1nc(Cc2cccnc2)no1
InChIInChI=1S/C21H30N4O3/c26-19(15-23-27)13-18(10-4-8-16-6-2-1-3-7-16)21-24-20(25-28-21)12-17-9-5-11-22-14-17/h5,9,11,14,16,18,23,27H,1-4,6-8,10,12-13,15H2/t18-/m1/s1
InChIKeyGHXOVJBCTGNQSK-GOSISDBHSA-N
MW386.50 g/mol
LogP3.83
Rot. Bonds11

About (4R)-7-cyclohexyl-1-(hydroxyamino)-4-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]heptan-2-one

(4R)-7-cyclohexyl-1-(hydroxyamino)-4-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]heptan-2-one (PubChem CID 10293538) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is (4R)-7-cyclohexyl-1-(hydroxyamino)-4-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]heptan-2-one.

Molecular Properties

Compound Name(4R)-7-cyclohexyl-1-(hydroxyamino)-4-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]heptan-2-one
PubChem CID10293538
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name(4R)-7-cyclohexyl-1-(hydroxyamino)-4-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]heptan-2-one
SMILESO=C(CNO)C[C@@H](CCCC1CCCCC1)c1nc(Cc2cccnc2)no1
InChIInChI=1S/C21H30N4O3/c26-19(15-23-27)13-18(10-4-8-16-6-2-1-3-7-16)21-24-20(25-28-21)12-17-9-5-11-22-14-17/h5,9,11,14,16,18,23,27H,1-4,6-8,10,12-13,15H2/t18-/m1/s1
InChIKeyGHXOVJBCTGNQSK-GOSISDBHSA-N
XLogP3.83
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 22480863
6-cyclohexyl-N-hydroxy-3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 22480896
(3R)-6-cyclohexyl-N-hydroxy-3-[3-[(pyridin-3-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide
CID 10182462
tert-butyl 6-cyclohexyl-3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanoate
CID 23378099
(4R)-7-cyclohexyl-4-(3-ethyl-1,2,4-oxadiazol-5-yl)heptan-2-one
CID 58860994
(3R)-6-cyclohexyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)hexanoic acid
CID 59074822
methyl 2-[[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methylamino]acetate
CID 21305061
N-[[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide
CID 10293049
(3R)-6-cyclohexyl-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 59909767
(3R)-6-cyclohexyl-3-[3-[(cyclopropanecarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;ethane
CID 142148177
6-cyclohexyl-3-[3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 22733256
3-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]propanoic acid;(3R)-6-cyclohexyl-N-hydroxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)hexanamide
CID 90905609

Frequently Asked Questions

What is the IUPAC name of (4R)-7-cyclohexyl-1-(hydroxyamino)-4-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]heptan-2-one?
The IUPAC name of (4R)-7-cyclohexyl-1-(hydroxyamino)-4-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]heptan-2-one (CID 10293538) is (4R)-7-cyclohexyl-1-(hydroxyamino)-4-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]heptan-2-one.
What is the SMILES notation for (4R)-7-cyclohexyl-1-(hydroxyamino)-4-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]heptan-2-one?
The canonical SMILES for (4R)-7-cyclohexyl-1-(hydroxyamino)-4-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]heptan-2-one is O=C(CNO)C[C@@H](CCCC1CCCCC1)c1nc(Cc2cccnc2)no1.
What is the InChIKey of (4R)-7-cyclohexyl-1-(hydroxyamino)-4-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]heptan-2-one?
The InChIKey is GHXOVJBCTGNQSK-GOSISDBHSA-N. The full InChI is InChI=1S/C21H30N4O3/c26-19(15-23-27)13-18(10-4-8-16-6-2-1-3-7-16)21-24-20(25-28-21)12-17-9-5-11-22-14-17/h5,9,11,14,16,18,23,27H,1-4,6-8,10,12-13,15H2/t18-/m1/s1.
What are the key properties of (4R)-7-cyclohexyl-1-(hydroxyamino)-4-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]heptan-2-one?
(4R)-7-cyclohexyl-1-(hydroxyamino)-4-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]heptan-2-one has a molecular weight of 386.50 g/mol, XLogP of 3.83, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-cyclohexyl-1-(hydroxyamino)-4-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]heptan-2-one is sourced from PubChem (CID 10293538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).