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

C7H13NO2 — CID 11355536

IUPAC(4S)-3-methyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C
InChIInChI=1S/C7H13NO2/c1-5(2)6-4-10-7(9)8(6)3/h5-6H,4H2,1-3H3/t6-/m1/s1
InChIKeyNVMZTXZHECIZMZ-ZCFIWIBFSA-N
MW143.19 g/mol
LogP1.09
Rot. Bonds1

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

(4S)-3-methyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11355536) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (4S)-3-methyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-methyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11355536
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(4S)-3-methyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C
InChIInChI=1S/C7H13NO2/c1-5(2)6-4-10-7(9)8(6)3/h5-6H,4H2,1-3H3/t6-/m1/s1
InChIKeyNVMZTXZHECIZMZ-ZCFIWIBFSA-N
XLogP1.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(Propan-2-yl)-1,3-oxazolidin-2-one
CID 641505
(4S)-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 7157133
4-Isopropyl-3-propionyl-2-oxazolidinone
CID 190974
(4S)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11992677
(4R)-3-methylsulfanyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11992678
US10214537, Example 158
CID 57765494
US10214537, Example 163
CID 132220338
2-Oxazolidinone, 4-(1-methylethyl)-
CID 519353
(4R)-3-Propanoyl-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 643512
(S)-(+)-4-Isopropyl-3-propionyl-2-oxazolidinone
CID 853160
3-Isopropyl-1,3-oxazolidin-2-one
CID 237194
(4S)-3-hept-1-ynyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11481480

Frequently Asked Questions

What is the IUPAC name of (4S)-3-methyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-methyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11355536) is (4S)-3-methyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-methyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-methyl-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C.
What is the InChIKey of (4S)-3-methyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is NVMZTXZHECIZMZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(2)6-4-10-7(9)8(6)3/h5-6H,4H2,1-3H3/t6-/m1/s1.
What are the key properties of (4S)-3-methyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-methyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 143.19 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-methyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11355536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).