(4R)-4-tert-butyl-2-cyclopentyl-4,5-dihydro-1,3-oxazole;carbanide;cyclopentane;iron(2+)

C19H37FeNO — CID 154828634

IUPAC(4R)-4-tert-butyl-2-cyclopentyl-4,5-dihydro-1,3-oxazole;carbanide;cyclopentane;iron(2+)
SMILESC1CCCC1.CC(C)(C)[C@@H]1COC(C2CCCC2)=N1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C12H21NO.C5H10.2CH3.Fe/c1-12(2,3)10-8-14-11(13-10)9-6-4-5-7-9;1-2-4-5-3-1;;;/h9-10H,4-8H2,1-3H3;1-5H2;2*1H3;/q;;2*-1;+2/t10-;;;;/m0..../s1
InChIKeyLNNZLHMFGZSOMR-CZEDPBFNSA-N
MW351.36 g/mol
LogP5.87
Rot. Bonds1

About (4R)-4-tert-butyl-2-cyclopentyl-4,5-dihydro-1,3-oxazole;carbanide;cyclopentane;iron(2+)

(4R)-4-tert-butyl-2-cyclopentyl-4,5-dihydro-1,3-oxazole;carbanide;cyclopentane;iron(2+) (PubChem CID 154828634) has the molecular formula C19H37FeNO and a molecular weight of 351.36 g/mol. Its IUPAC name is (4R)-4-tert-butyl-2-cyclopentyl-4,5-dihydro-1,3-oxazole;carbanide;cyclopentane;iron(2+).

Molecular Properties

Compound Name(4R)-4-tert-butyl-2-cyclopentyl-4,5-dihydro-1,3-oxazole;carbanide;cyclopentane;iron(2+)
PubChem CID154828634
Molecular FormulaC19H37FeNO
Molecular Weight351.36 g/mol
Exact Mass351.22
IUPAC Name(4R)-4-tert-butyl-2-cyclopentyl-4,5-dihydro-1,3-oxazole;carbanide;cyclopentane;iron(2+)
SMILESC1CCCC1.CC(C)(C)[C@@H]1COC(C2CCCC2)=N1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C12H21NO.C5H10.2CH3.Fe/c1-12(2,3)10-8-14-11(13-10)9-6-4-5-7-9;1-2-4-5-3-1;;;/h9-10H,4-8H2,1-3H3;1-5H2;2*1H3;/q;;2*-1;+2/t10-;;;;/m0..../s1
InChIKeyLNNZLHMFGZSOMR-CZEDPBFNSA-N
XLogP5.87
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.36
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (4R)-4-tert-butyl-2-cyclopentyl-4,5-dihydro-1,3-oxazole;carbanide;cyclopentane;iron(2+) with MolForge

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Launch Full Analysis

Related Compounds

(4R)-4-tert-butyl-2-[(1S,2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole
CID 101347334
4-tert-butyl-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole
CID 84667112
(4S)-4-tert-butyl-2-[2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]cyclopentyl]-4,5-dihydro-1,3-oxazole
CID 138968828
bis([2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-trimethylsilane);bis(cyclopentane);bis(iodopalladium(1+));bis(iron(2+))
CID 23233137
4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole
CID 85266336
[(2S)-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]piperidin-1-yl]-diphenylphosphane
CID 170898114
[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylmethanol
CID 140523519
2-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)ethanamine
CID 115060961
CID 72835928
CID 72835928
(4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole
CID 59893979
(4S)-4-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-4,5-dihydro-1,3-oxazole
CID 11629966
bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)methanone
CID 175334723

Frequently Asked Questions

What is the IUPAC name of (4R)-4-tert-butyl-2-cyclopentyl-4,5-dihydro-1,3-oxazole;carbanide;cyclopentane;iron(2+)?
The IUPAC name of (4R)-4-tert-butyl-2-cyclopentyl-4,5-dihydro-1,3-oxazole;carbanide;cyclopentane;iron(2+) (CID 154828634) is (4R)-4-tert-butyl-2-cyclopentyl-4,5-dihydro-1,3-oxazole;carbanide;cyclopentane;iron(2+).
What is the SMILES notation for (4R)-4-tert-butyl-2-cyclopentyl-4,5-dihydro-1,3-oxazole;carbanide;cyclopentane;iron(2+)?
The canonical SMILES for (4R)-4-tert-butyl-2-cyclopentyl-4,5-dihydro-1,3-oxazole;carbanide;cyclopentane;iron(2+) is C1CCCC1.CC(C)(C)[C@@H]1COC(C2CCCC2)=N1.[CH3-].[CH3-].[Fe+2].
What is the InChIKey of (4R)-4-tert-butyl-2-cyclopentyl-4,5-dihydro-1,3-oxazole;carbanide;cyclopentane;iron(2+)?
The InChIKey is LNNZLHMFGZSOMR-CZEDPBFNSA-N. The full InChI is InChI=1S/C12H21NO.C5H10.2CH3.Fe/c1-12(2,3)10-8-14-11(13-10)9-6-4-5-7-9;1-2-4-5-3-1;;;/h9-10H,4-8H2,1-3H3;1-5H2;2*1H3;/q;;2*-1;+2/t10-;;;;/m0..../s1.
What are the key properties of (4R)-4-tert-butyl-2-cyclopentyl-4,5-dihydro-1,3-oxazole;carbanide;cyclopentane;iron(2+)?
(4R)-4-tert-butyl-2-cyclopentyl-4,5-dihydro-1,3-oxazole;carbanide;cyclopentane;iron(2+) has a molecular weight of 351.36 g/mol, XLogP of 5.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-tert-butyl-2-cyclopentyl-4,5-dihydro-1,3-oxazole;carbanide;cyclopentane;iron(2+) is sourced from PubChem (CID 154828634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).