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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Related Compounds

3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 10682057
3-[(2R)-2-[(1S)-1-cyclohexylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 101143579
3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 11139889
tert-butyl (2R,3S)-2-(2-methylpropyl)-3-(2-oxo-1,3-oxazolidine-3-carbonyl)hex-5-enoate
CID 11151950
3-[(2S,3S)-3-phenyl-2-pyrrolidin-1-ylpent-4-enoyl]-1,3-oxazolidin-2-one
CID 146166726
(4S)-4-phenyl-3-[(2R)-2-[(1S)-1-phenylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 126708215
3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 10397067
3-[3-phenyl-2-(4-phenylphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 166438755
3-[(2S)-2-hydroxypropanoyl]-1,3-oxazolidin-2-one
CID 71425573
prop-2-enyl (2S,3S)-3-methyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-4-pyrrol-1-ylbutanoate
CID 15473947
ethane;ethylbenzene;3-[(2S,4E)-2-hydroxy-5-(trifluoromethyl)octa-4,7-dienoyl]-1,3-oxazolidin-2-one
CID 143101028
3-(2-methyl-4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one
CID 137468469

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).