(5R)-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole

C18H17NO2 — CID 102034873

IUPAC(5R)-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc([C@@H]2CN=C(/C=C/c3ccccc3)O2)cc1
InChIInChI=1S/C18H17NO2/c1-20-16-10-8-15(9-11-16)17-13-19-18(21-17)12-7-14-5-3-2-4-6-14/h2-12,17H,13H2,1H3/b12-7+/t17-/m0/s1
InChIKeyJWIXCXBFPMKPIN-CRVDFBCUSA-N
MW279.34 g/mol
LogP3.88
Rot. Bonds4

About (5R)-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole

(5R)-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 102034873) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (5R)-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(5R)-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
PubChem CID102034873
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(5R)-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc([C@@H]2CN=C(/C=C/c3ccccc3)O2)cc1
InChIInChI=1S/C18H17NO2/c1-20-16-10-8-15(9-11-16)17-13-19-18(21-17)12-7-14-5-3-2-4-6-14/h2-12,17H,13H2,1H3/b12-7+/t17-/m0/s1
InChIKeyJWIXCXBFPMKPIN-CRVDFBCUSA-N
XLogP3.88
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (5R)-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole (CID 102034873) is (5R)-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (5R)-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (5R)-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole is COc1ccc([C@@H]2CN=C(/C=C/c3ccccc3)O2)cc1.
What is the InChIKey of (5R)-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is JWIXCXBFPMKPIN-CRVDFBCUSA-N. The full InChI is InChI=1S/C18H17NO2/c1-20-16-10-8-15(9-11-16)17-13-19-18(21-17)12-7-14-5-3-2-4-6-14/h2-12,17H,13H2,1H3/b12-7+/t17-/m0/s1.
What are the key properties of (5R)-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole?
(5R)-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 279.34 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102034873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).