1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethylidenevanadium

C8H13NO2V — CID 145149624

IUPAC1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethylidenevanadium
SMILESCC(=[V])N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C8H13NO2.V/c1-4-9-7(6(2)3)5-11-8(9)10;/h6-7H,5H2,1-3H3;/t7-;/m1./s1
InChIKeyPTKPRPNNVCHZIR-OGFXRTJISA-N
MW206.14 g/mol
LogP1.16
Rot. Bonds2

About 1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethylidenevanadium

1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethylidenevanadium (PubChem CID 145149624) has the molecular formula C8H13NO2V and a molecular weight of 206.14 g/mol. Its IUPAC name is 1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethylidenevanadium.

Molecular Properties

Compound Name1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethylidenevanadium
PubChem CID145149624
Molecular FormulaC8H13NO2V
Molecular Weight206.14 g/mol
Exact Mass206.04
IUPAC Name1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethylidenevanadium
SMILESCC(=[V])N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C8H13NO2.V/c1-4-9-7(6(2)3)5-11-8(9)10;/h6-7H,5H2,1-3H3;/t7-;/m1./s1
InChIKeyPTKPRPNNVCHZIR-OGFXRTJISA-N
XLogP1.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.14
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-3-(2,2-dichloroacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 44889097
(4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 77106963
(4S)-3-(2-fluoroprop-2-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 45080957
(4S)-4-propan-2-yl-3-(3,3,3-trideuterio-2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 25239998
2-methyl-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentane-1,3-dione
CID 10444361
(4R)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 139919284
3-(2-cyclopentylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10082966
(4S)-3-[(2R,3R)-3-hydroxy-2,4,4-trimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15706456
(4S)-3-[(2R,3S)-2-chloro-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 13347887
(4S)-3-amino-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10909689
3-amino-4-propan-2-yl-1,3-oxazolidin-2-one
CID 85312124
(4S)-3-(2,3-dideuterio-3,3-dimethoxy-2-methylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134899739

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethylidenevanadium?
The IUPAC name of 1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethylidenevanadium (CID 145149624) is 1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethylidenevanadium.
What is the SMILES notation for 1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethylidenevanadium?
The canonical SMILES for 1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethylidenevanadium is CC(=[V])N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of 1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethylidenevanadium?
The InChIKey is PTKPRPNNVCHZIR-OGFXRTJISA-N. The full InChI is InChI=1S/C8H13NO2.V/c1-4-9-7(6(2)3)5-11-8(9)10;/h6-7H,5H2,1-3H3;/t7-;/m1./s1.
What are the key properties of 1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethylidenevanadium?
1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethylidenevanadium has a molecular weight of 206.14 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethylidenevanadium is sourced from PubChem (CID 145149624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).