(4S)-4-propan-2-yl-3-(3,3,3-trideuterio-2-methylpropanoyl)-1,3-oxazolidin-2-one

C10H17NO3 — CID 25239998

IUPAC(4S)-4-propan-2-yl-3-(3,3,3-trideuterio-2-methylpropanoyl)-1,3-oxazolidin-2-one
SMILES[2H]C([2H])([2H])C(C)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C10H17NO3/c1-6(2)8-5-14-10(13)11(8)9(12)7(3)4/h6-8H,5H2,1-4H3/t8-/m1/s1/i3D3/t7?,8-
InChIKeyRJWKYWAWSJMIMZ-BPDZIRGXSA-N
MW202.27 g/mol
LogP1.65
Rot. Bonds3

About (4S)-4-propan-2-yl-3-(3,3,3-trideuterio-2-methylpropanoyl)-1,3-oxazolidin-2-one

(4S)-4-propan-2-yl-3-(3,3,3-trideuterio-2-methylpropanoyl)-1,3-oxazolidin-2-one (PubChem CID 25239998) has the molecular formula C10H17NO3 and a molecular weight of 202.27 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-3-(3,3,3-trideuterio-2-methylpropanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-3-(3,3,3-trideuterio-2-methylpropanoyl)-1,3-oxazolidin-2-one
PubChem CID25239998
Molecular FormulaC10H17NO3
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Name(4S)-4-propan-2-yl-3-(3,3,3-trideuterio-2-methylpropanoyl)-1,3-oxazolidin-2-one
SMILES[2H]C([2H])([2H])C(C)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C10H17NO3/c1-6(2)8-5-14-10(13)11(8)9(12)7(3)4/h6-8H,5H2,1-4H3/t8-/m1/s1/i3D3/t7?,8-
InChIKeyRJWKYWAWSJMIMZ-BPDZIRGXSA-N
XLogP1.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-4-propan-2-yl-3-(3,3,3-trideuterio-2-methylpropanoyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-4-propan-2-yl-3-[(2S)-2-(trideuteriomethyl)butanoyl]-1,3-oxazolidin-2-one
CID 131667934
(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-(2,3-dideuterio-3,3-dimethoxy-2-methylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134899739
2-methyl-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentane-1,3-dione
CID 10444361
(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
1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethylidenevanadium
CID 145149624
2-hydroxy-2,3-dimethyl-4-oxo-4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)butanenitrile
CID 5242505
(4S)-3-(2-fluoroprop-2-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 45080957
(3R)-2,3-dibenzyl-1,4-bis[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butane-1,4-dione
CID 134462003
(4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134835001

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-3-(3,3,3-trideuterio-2-methylpropanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-propan-2-yl-3-(3,3,3-trideuterio-2-methylpropanoyl)-1,3-oxazolidin-2-one (CID 25239998) is (4S)-4-propan-2-yl-3-(3,3,3-trideuterio-2-methylpropanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-propan-2-yl-3-(3,3,3-trideuterio-2-methylpropanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-propan-2-yl-3-(3,3,3-trideuterio-2-methylpropanoyl)-1,3-oxazolidin-2-one is [2H]C([2H])([2H])C(C)C(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-4-propan-2-yl-3-(3,3,3-trideuterio-2-methylpropanoyl)-1,3-oxazolidin-2-one?
The InChIKey is RJWKYWAWSJMIMZ-BPDZIRGXSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6(2)8-5-14-10(13)11(8)9(12)7(3)4/h6-8H,5H2,1-4H3/t8-/m1/s1/i3D3/t7?,8-.
What are the key properties of (4S)-4-propan-2-yl-3-(3,3,3-trideuterio-2-methylpropanoyl)-1,3-oxazolidin-2-one?
(4S)-4-propan-2-yl-3-(3,3,3-trideuterio-2-methylpropanoyl)-1,3-oxazolidin-2-one has a molecular weight of 202.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-3-(3,3,3-trideuterio-2-methylpropanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 25239998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).