3-[(2R)-2-[(1S)-2-methyl-1-phenylpropyl]pent-4-enoyl]-1,3-oxazolidin-2-one

C18H23NO3 — CID 101143575

IUPAC3-[(2R)-2-[(1S)-2-methyl-1-phenylpropyl]pent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@@H](C(=O)N1CCOC1=O)[C@@H](c1ccccc1)C(C)C
InChIInChI=1S/C18H23NO3/c1-4-8-15(17(20)19-11-12-22-18(19)21)16(13(2)3)14-9-6-5-7-10-14/h4-7,9-10,13,15-16H,1,8,11-12H2,2-3H3/t15-,16-/m1/s1
InChIKeyHAMRCCJYOQZHBD-HZPDHXFCSA-N
MW301.39 g/mol
LogP3.60
Rot. Bonds6

About 3-[(2R)-2-[(1S)-2-methyl-1-phenylpropyl]pent-4-enoyl]-1,3-oxazolidin-2-one

3-[(2R)-2-[(1S)-2-methyl-1-phenylpropyl]pent-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 101143575) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[(2R)-2-[(1S)-2-methyl-1-phenylpropyl]pent-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2R)-2-[(1S)-2-methyl-1-phenylpropyl]pent-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID101143575
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name3-[(2R)-2-[(1S)-2-methyl-1-phenylpropyl]pent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@@H](C(=O)N1CCOC1=O)[C@@H](c1ccccc1)C(C)C
InChIInChI=1S/C18H23NO3/c1-4-8-15(17(20)19-11-12-22-18(19)21)16(13(2)3)14-9-6-5-7-10-14/h4-7,9-10,13,15-16H,1,8,11-12H2,2-3H3/t15-,16-/m1/s1
InChIKeyHAMRCCJYOQZHBD-HZPDHXFCSA-N
XLogP3.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[(1S)-2-methyl-1-phenylpropyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2R)-2-[(1S)-2-methyl-1-phenylpropyl]pent-4-enoyl]-1,3-oxazolidin-2-one (CID 101143575) is 3-[(2R)-2-[(1S)-2-methyl-1-phenylpropyl]pent-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2R)-2-[(1S)-2-methyl-1-phenylpropyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2R)-2-[(1S)-2-methyl-1-phenylpropyl]pent-4-enoyl]-1,3-oxazolidin-2-one is C=CC[C@@H](C(=O)N1CCOC1=O)[C@@H](c1ccccc1)C(C)C.
What is the InChIKey of 3-[(2R)-2-[(1S)-2-methyl-1-phenylpropyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is HAMRCCJYOQZHBD-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H23NO3/c1-4-8-15(17(20)19-11-12-22-18(19)21)16(13(2)3)14-9-6-5-7-10-14/h4-7,9-10,13,15-16H,1,8,11-12H2,2-3H3/t15-,16-/m1/s1.
What are the key properties of 3-[(2R)-2-[(1S)-2-methyl-1-phenylpropyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
3-[(2R)-2-[(1S)-2-methyl-1-phenylpropyl]pent-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 301.39 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[(1S)-2-methyl-1-phenylpropyl]pent-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 101143575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).