(4S)-3-[2-[(S)-methoxy(phenyl)methyl]pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C19H25NO4 — CID 138971741

IUPAC(4S)-3-[2-[(S)-methoxy(phenyl)methyl]pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CCC(C(=O)N1C(=O)OC[C@@H]1C(C)C)[C@H](OC)c1ccccc1
InChIInChI=1S/C19H25NO4/c1-5-9-15(17(23-4)14-10-7-6-8-11-14)18(21)20-16(13(2)3)12-24-19(20)22/h5-8,10-11,13,15-17H,1,9,12H2,2-4H3/t15?,16-,17-/m1/s1
InChIKeyHKUFCRBEABUWBW-YJEKIOLLSA-N
MW331.41 g/mol
LogP3.57
Rot. Bonds7

About (4S)-3-[2-[(S)-methoxy(phenyl)methyl]pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[2-[(S)-methoxy(phenyl)methyl]pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 138971741) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is (4S)-3-[2-[(S)-methoxy(phenyl)methyl]pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[(S)-methoxy(phenyl)methyl]pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID138971741
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name(4S)-3-[2-[(S)-methoxy(phenyl)methyl]pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CCC(C(=O)N1C(=O)OC[C@@H]1C(C)C)[C@H](OC)c1ccccc1
InChIInChI=1S/C19H25NO4/c1-5-9-15(17(23-4)14-10-7-6-8-11-14)18(21)20-16(13(2)3)12-24-19(20)22/h5-8,10-11,13,15-17H,1,9,12H2,2-4H3/t15?,16-,17-/m1/s1
InChIKeyHKUFCRBEABUWBW-YJEKIOLLSA-N
XLogP3.57
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ME-5-PH Oxazolidine-2,4-dione
CID 571063
3,4-Dimethyl-5-Phenyl-1,3-Oxazolidin-2-One
CID 237192
(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-acetyl-2-(cyclohexylmethyl)pyrrolidine-2-carboxylate
CID 46884563
2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
(4S)-3-[(2S,3S)-4-benzyl-3-hydroxy-2-methylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 49846980
Ephedroxane
CID 161171
(4S)-4-benzyl-3-[(2S)-2-[(1R)-1-hydroxy-3-phenylmethoxypropyl]decanoyl]-1,3-oxazolidin-2-one
CID 46229557
(4R)-3-[(2R,3R,4S,6S)-7-azido-3,4-dimethoxy-2,6-dimethylheptanoyl]-4-benzyl-1,3-oxazolidin-2-one
CID 137658403
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49846983
(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49847056

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[(S)-methoxy(phenyl)methyl]pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[(S)-methoxy(phenyl)methyl]pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 138971741) is (4S)-3-[2-[(S)-methoxy(phenyl)methyl]pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[(S)-methoxy(phenyl)methyl]pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[(S)-methoxy(phenyl)methyl]pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is C=CCC(C(=O)N1C(=O)OC[C@@H]1C(C)C)[C@H](OC)c1ccccc1.
What is the InChIKey of (4S)-3-[2-[(S)-methoxy(phenyl)methyl]pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is HKUFCRBEABUWBW-YJEKIOLLSA-N. The full InChI is InChI=1S/C19H25NO4/c1-5-9-15(17(23-4)14-10-7-6-8-11-14)18(21)20-16(13(2)3)12-24-19(20)22/h5-8,10-11,13,15-17H,1,9,12H2,2-4H3/t15?,16-,17-/m1/s1.
What are the key properties of (4S)-3-[2-[(S)-methoxy(phenyl)methyl]pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[(S)-methoxy(phenyl)methyl]pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 331.41 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[(S)-methoxy(phenyl)methyl]pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 138971741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).