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

C18H23NO4 — CID 101069813

IUPAC(4S)-3-[(2R)-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CC[C@@H](OCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C18H23NO4/c1-4-8-16(22-11-14-9-6-5-7-10-14)17(20)19-15(13(2)3)12-23-18(19)21/h4-7,9-10,13,15-16H,1,8,11-12H2,2-3H3/t15-,16-/m1/s1
InChIKeyHQYMUZSPILBRMG-HZPDHXFCSA-N
MW317.38 g/mol
LogP3.15
Rot. Bonds7

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

(4S)-3-[(2R)-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 101069813) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is (4S)-3-[(2R)-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2R)-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID101069813
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name(4S)-3-[(2R)-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CC[C@@H](OCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C18H23NO4/c1-4-8-16(22-11-14-9-6-5-7-10-14)17(20)19-15(13(2)3)12-23-18(19)21/h4-7,9-10,13,15-16H,1,8,11-12H2,2-3H3/t15-,16-/m1/s1
InChIKeyHQYMUZSPILBRMG-HZPDHXFCSA-N
XLogP3.15
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S)-3-[(2R)-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-ME-5-PH Oxazolidine-2,4-dione
CID 571063
3,4-Dimethyl-5-Phenyl-1,3-Oxazolidin-2-One
CID 237192
2-Benzyl 1-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CID 8027482
(S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate
CID 688168
(3R,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrole-4-carboxylic acid benzyl ester
CID 9972080
(3S,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrole-4-carboxylic acid benzyl ester
CID 44351104
Benzyl 1-(2-methoxy-2-oxoacetyl)piperidine-2-carboxylate
CID 9817974
Ephedroxane
CID 161171
1-[(2S)-2-(benzyloxy)propanoyl]pyrrolidine
CID 10879038
Benzyl 2-oxopyrrolidine-1-carboxylate
CID 10932936
3-Oxazolidinecarboxylic acid, 4-(1-methylethyl)-2,5-dioxo-, phenylmethyl ester, (4S)-
CID 11065729
COX inhibitor, 8
CID 11021865

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2R)-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2R)-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 101069813) is (4S)-3-[(2R)-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2R)-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2R)-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is C=CC[C@@H](OCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-[(2R)-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is HQYMUZSPILBRMG-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H23NO4/c1-4-8-16(22-11-14-9-6-5-7-10-14)17(20)19-15(13(2)3)12-23-18(19)21/h4-7,9-10,13,15-16H,1,8,11-12H2,2-3H3/t15-,16-/m1/s1.
What are the key properties of (4S)-3-[(2R)-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(2R)-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 317.38 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2R)-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101069813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).