(4R)-4-hydroxy-3-(4-imidazol-1-ylbutyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one

C13H21N3O3 — CID 7306003

IUPAC(4R)-4-hydroxy-3-(4-imidazol-1-ylbutyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(CCCCn2ccnc2)[C@]1(C)O
InChIInChI=1S/C13H21N3O3/c1-12(2)13(3,18)16(11(17)19-12)8-5-4-7-15-9-6-14-10-15/h6,9-10,18H,4-5,7-8H2,1-3H3/t13-/m1/s1
InChIKeyZNHGENRMGJVSJK-CYBMUJFWSA-N
MW267.33 g/mol
LogP1.60
Rot. Bonds5

About (4R)-4-hydroxy-3-(4-imidazol-1-ylbutyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one

(4R)-4-hydroxy-3-(4-imidazol-1-ylbutyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one (PubChem CID 7306003) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is (4R)-4-hydroxy-3-(4-imidazol-1-ylbutyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-3-(4-imidazol-1-ylbutyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one
PubChem CID7306003
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name(4R)-4-hydroxy-3-(4-imidazol-1-ylbutyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(CCCCn2ccnc2)[C@]1(C)O
InChIInChI=1S/C13H21N3O3/c1-12(2)13(3,18)16(11(17)19-12)8-5-4-7-15-9-6-14-10-15/h6,9-10,18H,4-5,7-8H2,1-3H3/t13-/m1/s1
InChIKeyZNHGENRMGJVSJK-CYBMUJFWSA-N
XLogP1.60
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4R)-4-hydroxy-3-(4-imidazol-1-ylbutyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
carbonic acid;1-dodecylimidazole
CID 175596781
1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one
CID 116624386
acetic acid;1-decylimidazole
CID 175546754
1-butyl-2-(3-imidazol-1-ylpropyl)-3-oxoisoindole-1-carboxamide
CID 141201366
1-[4-(1,2,3-trimethylcyclopenta-2,4-dien-1-yl)butyl]imidazole
CID 175252747
1-nonylimidazole;hydrobromide
CID 175434544
1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
CID 64881186
5-imidazol-1-yl-2-oxopentanoic acid
CID 174329319
methyl dihydrogen phosphite;1-pentylimidazole
CID 174884184
9-imidazol-1-yl-N-methylnonanamide
CID 12803322
(4S)-4-hydroxy-4-methyl-3-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 714795

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-3-(4-imidazol-1-ylbutyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-hydroxy-3-(4-imidazol-1-ylbutyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one (CID 7306003) is (4R)-4-hydroxy-3-(4-imidazol-1-ylbutyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-hydroxy-3-(4-imidazol-1-ylbutyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-hydroxy-3-(4-imidazol-1-ylbutyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(CCCCn2ccnc2)[C@]1(C)O.
What is the InChIKey of (4R)-4-hydroxy-3-(4-imidazol-1-ylbutyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The InChIKey is ZNHGENRMGJVSJK-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-12(2)13(3,18)16(11(17)19-12)8-5-4-7-15-9-6-14-10-15/h6,9-10,18H,4-5,7-8H2,1-3H3/t13-/m1/s1.
What are the key properties of (4R)-4-hydroxy-3-(4-imidazol-1-ylbutyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one?
(4R)-4-hydroxy-3-(4-imidazol-1-ylbutyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one has a molecular weight of 267.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-3-(4-imidazol-1-ylbutyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 7306003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).