(4S)-5-hydroxy-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one

C7H13NO3 — CID 67896747

IUPAC(4S)-5-hydroxy-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1C(=O)OC(O)[C@@H]1C
InChIInChI=1S/C7H13NO3/c1-4(2)8-5(3)6(9)11-7(8)10/h4-6,9H,1-3H3/t5-,6?/m0/s1
InChIKeyKHBBLQYOAGXRQH-ZBHICJROSA-N
MW159.18 g/mol
LogP0.55
Rot. Bonds1

About (4S)-5-hydroxy-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one

(4S)-5-hydroxy-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 67896747) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (4S)-5-hydroxy-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-5-hydroxy-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID67896747
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(4S)-5-hydroxy-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1C(=O)OC(O)[C@@H]1C
InChIInChI=1S/C7H13NO3/c1-4(2)8-5(3)6(9)11-7(8)10/h4-6,9H,1-3H3/t5-,6?/m0/s1
InChIKeyKHBBLQYOAGXRQH-ZBHICJROSA-N
XLogP0.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Hydroxymethyl)-3-methyl-2-oxazolidinone
CID 14456877
3-Isopropyl-1,3-oxazolidin-2-one
CID 237194
4-Ethyl-3-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 10749309
3-(2-Hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one
CID 15646796
3-Ethyl-4-methyl-1,3-oxazolidin-2-one
CID 17851398
(+-)-Ethyl-4-(hydroxymethyl)-2-oxazolidinone
CID 19694098
5-Hydroxy-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 21570834
3-(1-Hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one
CID 22000693
3-[1-(1-Hydroxyethoxy)ethyl]-1,3-oxazolidin-2-one
CID 22000695
3-(1-Hydroxypropyl)-1,3-oxazolidin-2-one
CID 22360087
3-(1-Hydroxyethyl)-1,3-oxazolidin-2-one
CID 22666838
4-(Hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 23355130

Frequently Asked Questions

What is the IUPAC name of (4S)-5-hydroxy-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-5-hydroxy-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one (CID 67896747) is (4S)-5-hydroxy-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-5-hydroxy-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-5-hydroxy-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one is CC(C)N1C(=O)OC(O)[C@@H]1C.
What is the InChIKey of (4S)-5-hydroxy-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is KHBBLQYOAGXRQH-ZBHICJROSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4(2)8-5(3)6(9)11-7(8)10/h4-6,9H,1-3H3/t5-,6?/m0/s1.
What are the key properties of (4S)-5-hydroxy-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-5-hydroxy-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 159.18 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-hydroxy-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67896747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).