(4S)-3-[(E,2R)-2-methyl-5-phenylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C18H23NO3 — CID 10402611

IUPAC(4S)-3-[(E,2R)-2-methyl-5-phenylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)[C@H](C)C/C=C/c1ccccc1
InChIInChI=1S/C18H23NO3/c1-13(2)16-12-22-18(21)19(16)17(20)14(3)8-7-11-15-9-5-4-6-10-15/h4-7,9-11,13-14,16H,8,12H2,1-3H3/b11-7+/t14-,16-/m1/s1
InChIKeyFQKGMZXDONYBAA-ZVXABGALSA-N
MW301.39 g/mol
LogP3.73
Rot. Bonds5

About (4S)-3-[(E,2R)-2-methyl-5-phenylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(E,2R)-2-methyl-5-phenylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10402611) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (4S)-3-[(E,2R)-2-methyl-5-phenylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(E,2R)-2-methyl-5-phenylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10402611
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name(4S)-3-[(E,2R)-2-methyl-5-phenylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)[C@H](C)C/C=C/c1ccccc1
InChIInChI=1S/C18H23NO3/c1-13(2)16-12-22-18(21)19(16)17(20)14(3)8-7-11-15-9-5-4-6-10-15/h4-7,9-11,13-14,16H,8,12H2,1-3H3/b11-7+/t14-,16-/m1/s1
InChIKeyFQKGMZXDONYBAA-ZVXABGALSA-N
XLogP3.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(E,2R)-2-methyl-5-phenylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(E,2R)-2-methyl-5-phenylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10402611) is (4S)-3-[(E,2R)-2-methyl-5-phenylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(E,2R)-2-methyl-5-phenylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(E,2R)-2-methyl-5-phenylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C(=O)[C@H](C)C/C=C/c1ccccc1.
What is the InChIKey of (4S)-3-[(E,2R)-2-methyl-5-phenylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is FQKGMZXDONYBAA-ZVXABGALSA-N. The full InChI is InChI=1S/C18H23NO3/c1-13(2)16-12-22-18(21)19(16)17(20)14(3)8-7-11-15-9-5-4-6-10-15/h4-7,9-11,13-14,16H,8,12H2,1-3H3/b11-7+/t14-,16-/m1/s1.
What are the key properties of (4S)-3-[(E,2R)-2-methyl-5-phenylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(E,2R)-2-methyl-5-phenylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 301.39 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(E,2R)-2-methyl-5-phenylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10402611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).