(4R)-4-benzyl-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-1,3-oxazolidin-2-one

C21H19F2NO3 — CID 10915654

IUPAC(4R)-4-benzyl-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=C(CCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C21H19F2NO3/c1-14(18-9-8-16(22)12-19(18)23)7-10-20(25)24-17(13-27-21(24)26)11-15-5-3-2-4-6-15/h2-6,8-9,12,17H,1,7,10-11,13H2/t17-/m1/s1
InChIKeyNORWYXXQKKLDKZ-QGZVFWFLSA-N
MW371.38 g/mol
LogP4.35
Rot. Bonds6

About (4R)-4-benzyl-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 10915654) has the molecular formula C21H19F2NO3 and a molecular weight of 371.38 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID10915654
Molecular FormulaC21H19F2NO3
Molecular Weight371.38 g/mol
Exact Mass371.13
IUPAC Name(4R)-4-benzyl-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=C(CCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C21H19F2NO3/c1-14(18-9-8-16(22)12-19(18)23)7-10-20(25)24-17(13-27-21(24)26)11-15-5-3-2-4-6-15/h2-6,8-9,12,17H,1,7,10-11,13H2/t17-/m1/s1
InChIKeyNORWYXXQKKLDKZ-QGZVFWFLSA-N
XLogP4.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-1,3-oxazolidin-2-one (CID 10915654) is (4R)-4-benzyl-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-1,3-oxazolidin-2-one is C=C(CCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of (4R)-4-benzyl-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is NORWYXXQKKLDKZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H19F2NO3/c1-14(18-9-8-16(22)12-19(18)23)7-10-20(25)24-17(13-27-21(24)26)11-15-5-3-2-4-6-15/h2-6,8-9,12,17H,1,7,10-11,13H2/t17-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 371.38 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[4-(2,4-difluorophenyl)pent-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10915654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).