3-(C,N-dimethylcarbonimidoyl)-4-(1-hydroxyethyl)-1,3-oxazolidin-2-one

C8H14N2O3 — CID 123245064

IUPAC3-(C,N-dimethylcarbonimidoyl)-4-(1-hydroxyethyl)-1,3-oxazolidin-2-one
SMILESC/N=C(\C)N1C(=O)OCC1C(C)O
InChIInChI=1S/C8H14N2O3/c1-5(11)7-4-13-8(12)10(7)6(2)9-3/h5,7,11H,4H2,1-3H3/b9-6+
InChIKeyMCBWQSIITLEJII-RMKNXTFCSA-N
MW186.21 g/mol
LogP0.24
Rot. Bonds1

About 3-(C,N-dimethylcarbonimidoyl)-4-(1-hydroxyethyl)-1,3-oxazolidin-2-one

3-(C,N-dimethylcarbonimidoyl)-4-(1-hydroxyethyl)-1,3-oxazolidin-2-one (PubChem CID 123245064) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-(C,N-dimethylcarbonimidoyl)-4-(1-hydroxyethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(C,N-dimethylcarbonimidoyl)-4-(1-hydroxyethyl)-1,3-oxazolidin-2-one
PubChem CID123245064
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name3-(C,N-dimethylcarbonimidoyl)-4-(1-hydroxyethyl)-1,3-oxazolidin-2-one
SMILESC/N=C(\C)N1C(=O)OCC1C(C)O
InChIInChI=1S/C8H14N2O3/c1-5(11)7-4-13-8(12)10(7)6(2)9-3/h5,7,11H,4H2,1-3H3/b9-6+
InChIKeyMCBWQSIITLEJII-RMKNXTFCSA-N
XLogP0.24
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(C,N-dimethylcarbonimidoyl)-4-(1-methoxyethyl)-1,3-oxazolidin-2-one
CID 123265338
1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethylidenevanadium
CID 145149624
(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-[(2R,3S)-2-chloro-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 13347887
(4S)-3-[(2R,3R)-3-hydroxy-2,4,4-trimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15706456
(4S)-4-propan-2-yl-3-(3,3,3-trideuterio-2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 25239998
(4S)-3-(2-fluoroprop-2-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 45080957
3-amino-4-propan-2-yl-1,3-oxazolidin-2-one
CID 85312124
(4S)-3-amino-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10909689
(4R)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 139919284
2-methyl-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentane-1,3-dione
CID 10444361

Frequently Asked Questions

What is the IUPAC name of 3-(C,N-dimethylcarbonimidoyl)-4-(1-hydroxyethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(C,N-dimethylcarbonimidoyl)-4-(1-hydroxyethyl)-1,3-oxazolidin-2-one (CID 123245064) is 3-(C,N-dimethylcarbonimidoyl)-4-(1-hydroxyethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(C,N-dimethylcarbonimidoyl)-4-(1-hydroxyethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(C,N-dimethylcarbonimidoyl)-4-(1-hydroxyethyl)-1,3-oxazolidin-2-one is C/N=C(\C)N1C(=O)OCC1C(C)O.
What is the InChIKey of 3-(C,N-dimethylcarbonimidoyl)-4-(1-hydroxyethyl)-1,3-oxazolidin-2-one?
The InChIKey is MCBWQSIITLEJII-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-5(11)7-4-13-8(12)10(7)6(2)9-3/h5,7,11H,4H2,1-3H3/b9-6+.
What are the key properties of 3-(C,N-dimethylcarbonimidoyl)-4-(1-hydroxyethyl)-1,3-oxazolidin-2-one?
3-(C,N-dimethylcarbonimidoyl)-4-(1-hydroxyethyl)-1,3-oxazolidin-2-one has a molecular weight of 186.21 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(C,N-dimethylcarbonimidoyl)-4-(1-hydroxyethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 123245064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).