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

C14H17NO2 — CID 10998847

IUPAC(2R)-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]pent-4-en-2-ol
SMILESC=CC[C@@H](O)C[C@H]1COC(c2ccccc2)=N1
InChIInChI=1S/C14H17NO2/c1-2-6-13(16)9-12-10-17-14(15-12)11-7-4-3-5-8-11/h2-5,7-8,12-13,16H,1,6,9-10H2/t12-,13+/m0/s1
InChIKeyANCUFHVEGSXAPZ-QWHCGFSZSA-N
MW231.30 g/mol
LogP2.16
Rot. Bonds5

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

(2R)-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]pent-4-en-2-ol (PubChem CID 10998847) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (2R)-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]pent-4-en-2-ol.

Molecular Properties

Compound Name(2R)-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]pent-4-en-2-ol
PubChem CID10998847
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(2R)-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]pent-4-en-2-ol
SMILESC=CC[C@@H](O)C[C@H]1COC(c2ccccc2)=N1
InChIInChI=1S/C14H17NO2/c1-2-6-13(16)9-12-10-17-14(15-12)11-7-4-3-5-8-11/h2-5,7-8,12-13,16H,1,6,9-10H2/t12-,13+/m0/s1
InChIKeyANCUFHVEGSXAPZ-QWHCGFSZSA-N
XLogP2.16
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2R)-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]pent-4-en-2-ol?
The IUPAC name of (2R)-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]pent-4-en-2-ol (CID 10998847) is (2R)-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]pent-4-en-2-ol.
What is the SMILES notation for (2R)-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]pent-4-en-2-ol?
The canonical SMILES for (2R)-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]pent-4-en-2-ol is C=CC[C@@H](O)C[C@H]1COC(c2ccccc2)=N1.
What is the InChIKey of (2R)-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]pent-4-en-2-ol?
The InChIKey is ANCUFHVEGSXAPZ-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-6-13(16)9-12-10-17-14(15-12)11-7-4-3-5-8-11/h2-5,7-8,12-13,16H,1,6,9-10H2/t12-,13+/m0/s1.
What are the key properties of (2R)-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]pent-4-en-2-ol?
(2R)-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]pent-4-en-2-ol has a molecular weight of 231.30 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]pent-4-en-2-ol is sourced from PubChem (CID 10998847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).