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

C19H25NO4 — CID 101069817

IUPAC(4S)-3-[(2R)-4-methyl-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C(C)C[C@@H](OCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C19H25NO4/c1-13(2)10-17(23-11-15-8-6-5-7-9-15)18(21)20-16(14(3)4)12-24-19(20)22/h5-9,14,16-17H,1,10-12H2,2-4H3/t16-,17-/m1/s1
InChIKeySBCJOLUVJABFJF-IAGOWNOFSA-N
MW331.41 g/mol
LogP3.54
Rot. Bonds7

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

(4S)-3-[(2R)-4-methyl-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 101069817) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is (4S)-3-[(2R)-4-methyl-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2R)-4-methyl-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID101069817
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name(4S)-3-[(2R)-4-methyl-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C(C)C[C@@H](OCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C19H25NO4/c1-13(2)10-17(23-11-15-8-6-5-7-9-15)18(21)20-16(14(3)4)12-24-19(20)22/h5-9,14,16-17H,1,10-12H2,2-4H3/t16-,17-/m1/s1
InChIKeySBCJOLUVJABFJF-IAGOWNOFSA-N
XLogP3.54
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 ≤ 53.54
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

Benzyl N-[(1S)-3-methyl-1-[(4-oxooxolan-3-yl)carbamoyl]butyl]carbamate
CID 10593841
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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
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(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 6-oxo-6-(1,4,7-trioxa-10-azacyclododecan-10-yl)hexanoate
CID 3760481
Benzyl 1-(2-methoxy-2-oxoacetyl)piperidine-2-carboxylate
CID 9817974
Ephedroxane
CID 161171
1-[(2S)-2-(benzyloxy)propanoyl]pyrrolidine
CID 10879038
3-Oxazolidinecarboxylic acid, 4-(1-methylethyl)-2,5-dioxo-, phenylmethyl ester, (4S)-
CID 11065729

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2R)-4-methyl-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2R)-4-methyl-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 101069817) is (4S)-3-[(2R)-4-methyl-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2R)-4-methyl-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2R)-4-methyl-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is C=C(C)C[C@@H](OCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-[(2R)-4-methyl-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is SBCJOLUVJABFJF-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H25NO4/c1-13(2)10-17(23-11-15-8-6-5-7-9-15)18(21)20-16(14(3)4)12-24-19(20)22/h5-9,14,16-17H,1,10-12H2,2-4H3/t16-,17-/m1/s1.
What are the key properties of (4S)-3-[(2R)-4-methyl-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(2R)-4-methyl-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 331.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2R)-4-methyl-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101069817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).