(4R)-4-phenyl-2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-oxazole

C12H13NO — CID 15744869

IUPAC(4R)-4-phenyl-2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-oxazole
SMILESC/C=C/C1=N[C@H](c2ccccc2)CO1
InChIInChI=1S/C12H13NO/c1-2-6-12-13-11(9-14-12)10-7-4-3-5-8-10/h2-8,11H,9H2,1H3/b6-2+/t11-/m0/s1
InChIKeyRZMPWJIDHXUNPI-GSQGTZRGSA-N
MW187.24 g/mol
LogP2.73
Rot. Bonds2

About (4R)-4-phenyl-2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-oxazole

(4R)-4-phenyl-2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-oxazole (PubChem CID 15744869) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is (4R)-4-phenyl-2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-phenyl-2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-oxazole
PubChem CID15744869
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(4R)-4-phenyl-2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-oxazole
SMILESC/C=C/C1=N[C@H](c2ccccc2)CO1
InChIInChI=1S/C12H13NO/c1-2-6-12-13-11(9-14-12)10-7-4-3-5-8-10/h2-8,11H,9H2,1H3/b6-2+/t11-/m0/s1
InChIKeyRZMPWJIDHXUNPI-GSQGTZRGSA-N
XLogP2.73
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-phenyl-2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-oxazole (CID 15744869) is (4R)-4-phenyl-2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-phenyl-2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-phenyl-2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-oxazole is C/C=C/C1=N[C@H](c2ccccc2)CO1.
What is the InChIKey of (4R)-4-phenyl-2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is RZMPWJIDHXUNPI-GSQGTZRGSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-6-12-13-11(9-14-12)10-7-4-3-5-8-10/h2-8,11H,9H2,1H3/b6-2+/t11-/m0/s1.
What are the key properties of (4R)-4-phenyl-2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-oxazole?
(4R)-4-phenyl-2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 187.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15744869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).