(5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole

C16H15NO2 — CID 102399279

IUPAC(5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc([C@@H]2CC(c3ccccc3)=NO2)cc1
InChIInChI=1S/C16H15NO2/c1-18-14-9-7-13(8-10-14)16-11-15(17-19-16)12-5-3-2-4-6-12/h2-10,16H,11H2,1H3/t16-/m0/s1
InChIKeyGVKKSHZCCVBTDR-INIZCTEOSA-N
MW253.30 g/mol
LogP3.56
Rot. Bonds3

About (5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole

(5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 102399279) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID102399279
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc([C@@H]2CC(c3ccccc3)=NO2)cc1
InChIInChI=1S/C16H15NO2/c1-18-14-9-7-13(8-10-14)16-11-15(17-19-16)12-5-3-2-4-6-12/h2-10,16H,11H2,1H3/t16-/m0/s1
InChIKeyGVKKSHZCCVBTDR-INIZCTEOSA-N
XLogP3.56
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methoxyphenyl)-3-[4-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,2-oxazole
CID 10414821
3-(furan-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 53316962
2-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenol
CID 10612032
5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole
CID 139240735
5-(furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 21065040
5-(4-methoxyphenyl)-3-(5-methyl-1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole
CID 122372985
3-(7-ethoxy-3-phenyl-1H-indol-2-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 135445166
5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
CID 569092
[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine
CID 105458829
(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 1096397
4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)benzoic acid
CID 71415133
3-(2-methoxyethyl)-5-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-oxadiazole
CID 96999699

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole (CID 102399279) is (5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole is COc1ccc([C@@H]2CC(c3ccccc3)=NO2)cc1.
What is the InChIKey of (5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is GVKKSHZCCVBTDR-INIZCTEOSA-N. The full InChI is InChI=1S/C16H15NO2/c1-18-14-9-7-13(8-10-14)16-11-15(17-19-16)12-5-3-2-4-6-12/h2-10,16H,11H2,1H3/t16-/m0/s1.
What are the key properties of (5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
(5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 253.30 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 102399279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).