(4S)-4-benzyl-3-[2-[(2S,3S,4R,6S)-3,4-dimethyl-6-prop-2-enyloxan-2-yl]acetyl]-1,3-oxazolidin-2-one

C22H29NO4 — CID 10523269

IUPAC(4S)-4-benzyl-3-[2-[(2S,3S,4R,6S)-3,4-dimethyl-6-prop-2-enyloxan-2-yl]acetyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@H]1C[C@@H](C)[C@H](C)[C@H](CC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)O1
InChIInChI=1S/C22H29NO4/c1-4-8-19-11-15(2)16(3)20(27-19)13-21(24)23-18(14-26-22(23)25)12-17-9-6-5-7-10-17/h4-7,9-10,15-16,18-20H,1,8,11-14H2,2-3H3/t15-,16+,18+,19+,20+/m1/s1
InChIKeyYXMBJCLRYVFTHR-JVJLKXRTSA-N
MW371.48 g/mol
LogP3.97
Rot. Bonds6

About (4S)-4-benzyl-3-[2-[(2S,3S,4R,6S)-3,4-dimethyl-6-prop-2-enyloxan-2-yl]acetyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[2-[(2S,3S,4R,6S)-3,4-dimethyl-6-prop-2-enyloxan-2-yl]acetyl]-1,3-oxazolidin-2-one (PubChem CID 10523269) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[2-[(2S,3S,4R,6S)-3,4-dimethyl-6-prop-2-enyloxan-2-yl]acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[2-[(2S,3S,4R,6S)-3,4-dimethyl-6-prop-2-enyloxan-2-yl]acetyl]-1,3-oxazolidin-2-one
PubChem CID10523269
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name(4S)-4-benzyl-3-[2-[(2S,3S,4R,6S)-3,4-dimethyl-6-prop-2-enyloxan-2-yl]acetyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@H]1C[C@@H](C)[C@H](C)[C@H](CC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)O1
InChIInChI=1S/C22H29NO4/c1-4-8-19-11-15(2)16(3)20(27-19)13-21(24)23-18(14-26-22(23)25)12-17-9-6-5-7-10-17/h4-7,9-10,15-16,18-20H,1,8,11-14H2,2-3H3/t15-,16+,18+,19+,20+/m1/s1
InChIKeyYXMBJCLRYVFTHR-JVJLKXRTSA-N
XLogP3.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S)-4-benzyl-3-[2-[(2S,3S,4R,6S)-3,4-dimethyl-6-prop-2-enyloxan-2-yl]acetyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[2-[(2S,3S,4R,6S)-3,4-dimethyl-6-prop-2-enyloxan-2-yl]acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[2-[(2S,3S,4R,6S)-3,4-dimethyl-6-prop-2-enyloxan-2-yl]acetyl]-1,3-oxazolidin-2-one (CID 10523269) is (4S)-4-benzyl-3-[2-[(2S,3S,4R,6S)-3,4-dimethyl-6-prop-2-enyloxan-2-yl]acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[2-[(2S,3S,4R,6S)-3,4-dimethyl-6-prop-2-enyloxan-2-yl]acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[2-[(2S,3S,4R,6S)-3,4-dimethyl-6-prop-2-enyloxan-2-yl]acetyl]-1,3-oxazolidin-2-one is C=CC[C@H]1C[C@@H](C)[C@H](C)[C@H](CC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)O1.
What is the InChIKey of (4S)-4-benzyl-3-[2-[(2S,3S,4R,6S)-3,4-dimethyl-6-prop-2-enyloxan-2-yl]acetyl]-1,3-oxazolidin-2-one?
The InChIKey is YXMBJCLRYVFTHR-JVJLKXRTSA-N. The full InChI is InChI=1S/C22H29NO4/c1-4-8-19-11-15(2)16(3)20(27-19)13-21(24)23-18(14-26-22(23)25)12-17-9-6-5-7-10-17/h4-7,9-10,15-16,18-20H,1,8,11-14H2,2-3H3/t15-,16+,18+,19+,20+/m1/s1.
What are the key properties of (4S)-4-benzyl-3-[2-[(2S,3S,4R,6S)-3,4-dimethyl-6-prop-2-enyloxan-2-yl]acetyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[2-[(2S,3S,4R,6S)-3,4-dimethyl-6-prop-2-enyloxan-2-yl]acetyl]-1,3-oxazolidin-2-one has a molecular weight of 371.48 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[2-[(2S,3S,4R,6S)-3,4-dimethyl-6-prop-2-enyloxan-2-yl]acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10523269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).