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

C19H25NO4 — CID 58946055

IUPAC(4S)-3-[(2R)-2-(phenylmethoxymethyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CC[C@H](COCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C19H25NO4/c1-4-8-16(12-23-11-15-9-6-5-7-10-15)18(21)20-17(14(2)3)13-24-19(20)22/h4-7,9-10,14,16-17H,1,8,11-13H2,2-3H3/t16-,17-/m1/s1
InChIKeyQXJVBQWPAGUDQU-IAGOWNOFSA-N
MW331.41 g/mol
LogP3.40
Rot. Bonds8

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

(4S)-3-[(2R)-2-(phenylmethoxymethyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 58946055) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is (4S)-3-[(2R)-2-(phenylmethoxymethyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2R)-2-(phenylmethoxymethyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID58946055
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name(4S)-3-[(2R)-2-(phenylmethoxymethyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CC[C@H](COCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C19H25NO4/c1-4-8-16(12-23-11-15-9-6-5-7-10-15)18(21)20-17(14(2)3)13-24-19(20)22/h4-7,9-10,14,16-17H,1,8,11-13H2,2-3H3/t16-,17-/m1/s1
InChIKeyQXJVBQWPAGUDQU-IAGOWNOFSA-N
XLogP3.40
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (4S)-3-[(2R)-2-(phenylmethoxymethyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2R)-2-(phenylmethoxymethyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 58946055) is (4S)-3-[(2R)-2-(phenylmethoxymethyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2R)-2-(phenylmethoxymethyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2R)-2-(phenylmethoxymethyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is C=CC[C@H](COCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-[(2R)-2-(phenylmethoxymethyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is QXJVBQWPAGUDQU-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H25NO4/c1-4-8-16(12-23-11-15-9-6-5-7-10-15)18(21)20-17(14(2)3)13-24-19(20)22/h4-7,9-10,14,16-17H,1,8,11-13H2,2-3H3/t16-,17-/m1/s1.
What are the key properties of (4S)-3-[(2R)-2-(phenylmethoxymethyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(2R)-2-(phenylmethoxymethyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 331.41 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2R)-2-(phenylmethoxymethyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58946055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).