(1R)-1-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]but-3-en-1-ol

C15H19NO3 — CID 134930848

IUPAC(1R)-1-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]but-3-en-1-ol
SMILESC=CC[C@@H](O)C1=N[C@@H](COC)[C@H](c2ccccc2)O1
InChIInChI=1S/C15H19NO3/c1-3-7-13(17)15-16-12(10-18-2)14(19-15)11-8-5-4-6-9-11/h3-6,8-9,12-14,17H,1,7,10H2,2H3/t12-,13+,14-/m0/s1
InChIKeyZVZMTMYQCYPRNL-MJBXVCDLSA-N
MW261.32 g/mol
LogP2.11
Rot. Bonds6

About (1R)-1-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]but-3-en-1-ol

(1R)-1-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]but-3-en-1-ol (PubChem CID 134930848) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (1R)-1-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]but-3-en-1-ol.

Molecular Properties

Compound Name(1R)-1-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]but-3-en-1-ol
PubChem CID134930848
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(1R)-1-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]but-3-en-1-ol
SMILESC=CC[C@@H](O)C1=N[C@@H](COC)[C@H](c2ccccc2)O1
InChIInChI=1S/C15H19NO3/c1-3-7-13(17)15-16-12(10-18-2)14(19-15)11-8-5-4-6-9-11/h3-6,8-9,12-14,17H,1,7,10H2,2H3/t12-,13+,14-/m0/s1
InChIKeyZVZMTMYQCYPRNL-MJBXVCDLSA-N
XLogP2.11
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
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 (1R)-1-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]but-3-en-1-ol?
The IUPAC name of (1R)-1-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]but-3-en-1-ol (CID 134930848) is (1R)-1-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]but-3-en-1-ol.
What is the SMILES notation for (1R)-1-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]but-3-en-1-ol?
The canonical SMILES for (1R)-1-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]but-3-en-1-ol is C=CC[C@@H](O)C1=N[C@@H](COC)[C@H](c2ccccc2)O1.
What is the InChIKey of (1R)-1-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]but-3-en-1-ol?
The InChIKey is ZVZMTMYQCYPRNL-MJBXVCDLSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-7-13(17)15-16-12(10-18-2)14(19-15)11-8-5-4-6-9-11/h3-6,8-9,12-14,17H,1,7,10H2,2H3/t12-,13+,14-/m0/s1.
What are the key properties of (1R)-1-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]but-3-en-1-ol?
(1R)-1-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]but-3-en-1-ol has a molecular weight of 261.32 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]but-3-en-1-ol is sourced from PubChem (CID 134930848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).