(4R)-4-[(1R,2R)-1,2-bis(phenylmethoxy)but-3-enyl]-3-but-3-enyl-1,3-oxazolidin-2-one

C25H29NO4 — CID 134847065

IUPAC(4R)-4-[(1R,2R)-1,2-bis(phenylmethoxy)but-3-enyl]-3-but-3-enyl-1,3-oxazolidin-2-one
SMILESC=CCCN1C(=O)OC[C@@H]1[C@@H](OCc1ccccc1)[C@@H](C=C)OCc1ccccc1
InChIInChI=1S/C25H29NO4/c1-3-5-16-26-22(19-30-25(26)27)24(29-18-21-14-10-7-11-15-21)23(4-2)28-17-20-12-8-6-9-13-20/h3-4,6-15,22-24H,1-2,5,16-19H2/t22-,23-,24-/m1/s1
InChIKeyVKVOJICJMGOQMY-WXFUMESZSA-N
MW407.51 g/mol
LogP4.74
Rot. Bonds12

About (4R)-4-[(1R,2R)-1,2-bis(phenylmethoxy)but-3-enyl]-3-but-3-enyl-1,3-oxazolidin-2-one

(4R)-4-[(1R,2R)-1,2-bis(phenylmethoxy)but-3-enyl]-3-but-3-enyl-1,3-oxazolidin-2-one (PubChem CID 134847065) has the molecular formula C25H29NO4 and a molecular weight of 407.51 g/mol. Its IUPAC name is (4R)-4-[(1R,2R)-1,2-bis(phenylmethoxy)but-3-enyl]-3-but-3-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R,2R)-1,2-bis(phenylmethoxy)but-3-enyl]-3-but-3-enyl-1,3-oxazolidin-2-one
PubChem CID134847065
Molecular FormulaC25H29NO4
Molecular Weight407.51 g/mol
Exact Mass407.21
IUPAC Name(4R)-4-[(1R,2R)-1,2-bis(phenylmethoxy)but-3-enyl]-3-but-3-enyl-1,3-oxazolidin-2-one
SMILESC=CCCN1C(=O)OC[C@@H]1[C@@H](OCc1ccccc1)[C@@H](C=C)OCc1ccccc1
InChIInChI=1S/C25H29NO4/c1-3-5-16-26-22(19-30-25(26)27)24(29-18-21-14-10-7-11-15-21)23(4-2)28-17-20-12-8-6-9-13-20/h3-4,6-15,22-24H,1-2,5,16-19H2/t22-,23-,24-/m1/s1
InChIKeyVKVOJICJMGOQMY-WXFUMESZSA-N
XLogP4.74
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.74
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

3,4-Dimethyl-5-Phenyl-1,3-Oxazolidin-2-One
CID 237192
Benzyl 6-oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate
CID 22147363
Dibenzyl 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxylate
CID 2829026
(1R,2S)-2-(benzyloxy)-7-oxa-5-aza-bicyclo[3.2.1]octan-6-one
CID 24901100
Ephedroxane
CID 161171
cis-Benzyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 11252963
Dibenzyl 1,7-dioxa-4,10-diazacyclododecane-4,10-dicarboxylate
CID 1101146
benzyl 2-[(1E)-3-(morpholin-4-yl)prop-1-en-1-yl]pyrrolidine-1-carboxylate
CID 6373779
(4S,5S)-3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-one
CID 177727
3-(Diphenylmethoxy)-1-(propan-2-yl)pyrrolidine--hydrogen chloride (1/1)
CID 203355
4-[(Benzyloxy)carbonyl]-1,8-dioxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 68812719
8-[3-(Benzyloxy)propyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70787813

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R,2R)-1,2-bis(phenylmethoxy)but-3-enyl]-3-but-3-enyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(1R,2R)-1,2-bis(phenylmethoxy)but-3-enyl]-3-but-3-enyl-1,3-oxazolidin-2-one (CID 134847065) is (4R)-4-[(1R,2R)-1,2-bis(phenylmethoxy)but-3-enyl]-3-but-3-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R,2R)-1,2-bis(phenylmethoxy)but-3-enyl]-3-but-3-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(1R,2R)-1,2-bis(phenylmethoxy)but-3-enyl]-3-but-3-enyl-1,3-oxazolidin-2-one is C=CCCN1C(=O)OC[C@@H]1[C@@H](OCc1ccccc1)[C@@H](C=C)OCc1ccccc1.
What is the InChIKey of (4R)-4-[(1R,2R)-1,2-bis(phenylmethoxy)but-3-enyl]-3-but-3-enyl-1,3-oxazolidin-2-one?
The InChIKey is VKVOJICJMGOQMY-WXFUMESZSA-N. The full InChI is InChI=1S/C25H29NO4/c1-3-5-16-26-22(19-30-25(26)27)24(29-18-21-14-10-7-11-15-21)23(4-2)28-17-20-12-8-6-9-13-20/h3-4,6-15,22-24H,1-2,5,16-19H2/t22-,23-,24-/m1/s1.
What are the key properties of (4R)-4-[(1R,2R)-1,2-bis(phenylmethoxy)but-3-enyl]-3-but-3-enyl-1,3-oxazolidin-2-one?
(4R)-4-[(1R,2R)-1,2-bis(phenylmethoxy)but-3-enyl]-3-but-3-enyl-1,3-oxazolidin-2-one has a molecular weight of 407.51 g/mol, XLogP of 4.74, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R,2R)-1,2-bis(phenylmethoxy)but-3-enyl]-3-but-3-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134847065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).