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

C6H11NO2 — CID 7157133

IUPAC(4S)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1
InChIInChI=1S/C6H11NO2/c1-4(2)5-3-9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)/t5-/m1/s1
InChIKeyYBUPWRYTXGAWJX-RXMQYKEDSA-N
MW129.16 g/mol
LogP0.75
Rot. Bonds1

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

(4S)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 7157133) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID7157133
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(4S)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1
InChIInChI=1S/C6H11NO2/c1-4(2)5-3-9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)/t5-/m1/s1
InChIKeyYBUPWRYTXGAWJX-RXMQYKEDSA-N
XLogP0.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-4-tert-butyloxazolidin-2-one
CID 6950844
4-Ethyl-2-oxazolidinone
CID 97769
(4R)-4-(Propan-2-yl)-1,3-oxazolidin-2-one
CID 641505
4-Methyl-1,3-oxazolidin-2-one
CID 9855455
(S)-4-Isopropyl-5,5-dimethyl-2-oxazolidinone
CID 11105613
(4S)-4-(2-Methylpropyl)-1,3-oxazolidin-2-one
CID 8063317
4-Tert-butyl-1,3-oxazolidin-2-one
CID 3474206
(S)-4-Methyloxazolidin-2-one
CID 8063308
2,5-Oxazolidinedione, 4-(1-methylethyl)-, (4S)-
CID 9898854
4-Isopropyloxazolidine-2,5-dione
CID 102885
(R)-(+)-4-Isopropyl-5,5-dimethyl-2-oxazolidinone
CID 10583042
4-(2-Methylpropyl)-1,3-oxazolidin-2-one
CID 13739951

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 7157133) is (4S)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1.
What is the InChIKey of (4S)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is YBUPWRYTXGAWJX-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4(2)5-3-9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)/t5-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 129.16 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 7157133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).