(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one

C13H17NO2 — CID 155294169

IUPAC(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one
SMILESCCCN1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-8-14-12(10-16-13(14)15)9-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3/t12-/m0/s1
InChIKeyCHDFCJJSNBUKGH-LBPRGKRZSA-N
MW219.28 g/mol
LogP2.46
Rot. Bonds4

About (4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one (PubChem CID 155294169) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one
PubChem CID155294169
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one
SMILESCCCN1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-8-14-12(10-16-13(14)15)9-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3/t12-/m0/s1
InChIKeyCHDFCJJSNBUKGH-LBPRGKRZSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one
CID 150010367
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
CID 82372064
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-(trifluoromethyl)hexyl]-1,3-oxazolidin-2-one
CID 101364892
(4S)-4-benzyl-3-[(2S,3R)-3-hydroxy-2-(trifluoromethyl)hexyl]-1,3-oxazolidin-2-one
CID 101364891
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbaldehyde
CID 10774601
(4R)-4-benzyl-3-[(E)-1-hydroxyprop-1-enyl]-1,3-oxazolidin-2-one
CID 100990536
4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 68997353
(4R)-4-benzyl-3-(1-sulfanylethyl)-1,3-oxazolidin-2-one
CID 170024134
(4S)-4-benzyl-3-tert-butylsulfanyl-1,3-oxazolidin-2-one
CID 15668312
(4S)-4-benzyl-3-[(1S)-1-sulfanylethyl]-1,3-oxazolidin-2-one
CID 139924962

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one (CID 155294169) is (4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one is CCCN1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one?
The InChIKey is CHDFCJJSNBUKGH-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-8-14-12(10-16-13(14)15)9-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3/t12-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 155294169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).