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

C9H18N2O2 — CID 53359424

IUPAC(4S)-4-propan-2-yl-3-(propan-2-ylamino)-1,3-oxazolidin-2-one
SMILESCC(C)NN1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C9H18N2O2/c1-6(2)8-5-13-9(12)11(8)10-7(3)4/h6-8,10H,5H2,1-4H3/t8-/m1/s1
InChIKeyROLQTFBBGIDZJP-MRVPVSSYSA-N
MW186.25 g/mol
LogP1.38
Rot. Bonds3

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

(4S)-4-propan-2-yl-3-(propan-2-ylamino)-1,3-oxazolidin-2-one (PubChem CID 53359424) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-3-(propan-2-ylamino)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-3-(propan-2-ylamino)-1,3-oxazolidin-2-one
PubChem CID53359424
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(4S)-4-propan-2-yl-3-(propan-2-ylamino)-1,3-oxazolidin-2-one
SMILESCC(C)NN1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C9H18N2O2/c1-6(2)8-5-13-9(12)11(8)10-7(3)4/h6-8,10H,5H2,1-4H3/t8-/m1/s1
InChIKeyROLQTFBBGIDZJP-MRVPVSSYSA-N
XLogP1.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
(4S)-3-[[(1R)-1-(3-chlorophenyl)-2,2-difluorobut-3-enyl]amino]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102037877
(4S)-3-[[(1R)-2,2-difluoro-1-(4-methoxyphenyl)but-3-enyl]amino]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102037872
1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethylidenevanadium
CID 145149624
(4S)-4-propan-2-yl-3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one
CID 101347462
benzyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate
CID 11346476
2-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetaldehyde
CID 58821279
(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
[2-oxo-3-(propan-2-ylamino)-1,3-oxazolidin-4-yl]methyl 4-methylbenzenesulfonate
CID 57108020
3-(2-cyclopentylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10082966

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-3-(propan-2-ylamino)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-propan-2-yl-3-(propan-2-ylamino)-1,3-oxazolidin-2-one (CID 53359424) is (4S)-4-propan-2-yl-3-(propan-2-ylamino)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-propan-2-yl-3-(propan-2-ylamino)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-propan-2-yl-3-(propan-2-ylamino)-1,3-oxazolidin-2-one is CC(C)NN1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-4-propan-2-yl-3-(propan-2-ylamino)-1,3-oxazolidin-2-one?
The InChIKey is ROLQTFBBGIDZJP-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(2)8-5-13-9(12)11(8)10-7(3)4/h6-8,10H,5H2,1-4H3/t8-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-3-(propan-2-ylamino)-1,3-oxazolidin-2-one?
(4S)-4-propan-2-yl-3-(propan-2-ylamino)-1,3-oxazolidin-2-one has a molecular weight of 186.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-3-(propan-2-ylamino)-1,3-oxazolidin-2-one is sourced from PubChem (CID 53359424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).