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

C16H19NO2 — CID 135064824

IUPAC(4S)-3-(1-phenylbuta-2,3-dien-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C=C(Cc1ccccc1)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C16H19NO2/c1-4-14(10-13-8-6-5-7-9-13)17-15(12(2)3)11-19-16(17)18/h5-9,12,15H,1,10-11H2,2-3H3/t15-/m1/s1
InChIKeyAKCQADNXSPLDCG-OAHLLOKOSA-N
MW257.33 g/mol
LogP3.37
Rot. Bonds4

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

(4S)-3-(1-phenylbuta-2,3-dien-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 135064824) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (4S)-3-(1-phenylbuta-2,3-dien-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(1-phenylbuta-2,3-dien-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID135064824
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(4S)-3-(1-phenylbuta-2,3-dien-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C=C(Cc1ccccc1)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C16H19NO2/c1-4-14(10-13-8-6-5-7-9-13)17-15(12(2)3)11-19-16(17)18/h5-9,12,15H,1,10-11H2,2-3H3/t15-/m1/s1
InChIKeyAKCQADNXSPLDCG-OAHLLOKOSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S)-3-(1-phenylbuta-2,3-dien-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

Fenpipalone
CID 30822
(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
4-Benzyl-3-propionyl-1,3-oxazolidine
CID 11842098
(S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone
CID 735929
Locostatin
CID 5702600
4-Benzyl-2,2-dimethyl-3-propionyl-1,3-oxazolidine
CID 11842087
4-Benzyl-3-methylsulfanyl-1,3-oxazolidin-2-one
CID 11992672
4-Benzyl-3-crotonyl-2-oxazolidinone
CID 6383358

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(1-phenylbuta-2,3-dien-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(1-phenylbuta-2,3-dien-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 135064824) is (4S)-3-(1-phenylbuta-2,3-dien-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(1-phenylbuta-2,3-dien-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(1-phenylbuta-2,3-dien-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one is C=C=C(Cc1ccccc1)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-(1-phenylbuta-2,3-dien-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is AKCQADNXSPLDCG-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19NO2/c1-4-14(10-13-8-6-5-7-9-13)17-15(12(2)3)11-19-16(17)18/h5-9,12,15H,1,10-11H2,2-3H3/t15-/m1/s1.
What are the key properties of (4S)-3-(1-phenylbuta-2,3-dien-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-(1-phenylbuta-2,3-dien-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 257.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(1-phenylbuta-2,3-dien-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 135064824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).