(4S)-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C17H19F2NO3 — CID 15238248

IUPAC(4S)-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C(CCC(=O)N1C(=O)OC[C@@H]1C(C)C)c1ccc(F)cc1F
InChIInChI=1S/C17H19F2NO3/c1-10(2)15-9-23-17(22)20(15)16(21)7-4-11(3)13-6-5-12(18)8-14(13)19/h5-6,8,10,15H,3-4,7,9H2,1-2H3/t15-/m1/s1
InChIKeyRNTVQEDQGOSXBY-OAHLLOKOSA-N
MW323.34 g/mol
LogP3.76
Rot. Bonds5

About (4S)-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 15238248) has the molecular formula C17H19F2NO3 and a molecular weight of 323.34 g/mol. Its IUPAC name is (4S)-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID15238248
Molecular FormulaC17H19F2NO3
Molecular Weight323.34 g/mol
Exact Mass323.13
IUPAC Name(4S)-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C(CCC(=O)N1C(=O)OC[C@@H]1C(C)C)c1ccc(F)cc1F
InChIInChI=1S/C17H19F2NO3/c1-10(2)15-9-23-17(22)20(15)16(21)7-4-11(3)13-6-5-12(18)8-14(13)19/h5-6,8,10,15H,3-4,7,9H2,1-2H3/t15-/m1/s1
InChIKeyRNTVQEDQGOSXBY-OAHLLOKOSA-N
XLogP3.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 15238248) is (4S)-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is C=C(CCC(=O)N1C(=O)OC[C@@H]1C(C)C)c1ccc(F)cc1F.
What is the InChIKey of (4S)-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is RNTVQEDQGOSXBY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19F2NO3/c1-10(2)15-9-23-17(22)20(15)16(21)7-4-11(3)13-6-5-12(18)8-14(13)19/h5-6,8,10,15H,3-4,7,9H2,1-2H3/t15-/m1/s1.
What are the key properties of (4S)-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 323.34 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15238248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).