3-(furan-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole

C14H13NO3 — CID 53316962

IUPAC3-(furan-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2CC(c3ccoc3)=NO2)cc1
InChIInChI=1S/C14H13NO3/c1-16-12-4-2-10(3-5-12)14-8-13(15-18-14)11-6-7-17-9-11/h2-7,9,14H,8H2,1H3
InChIKeyDWIFCHVPUIMXHF-UHFFFAOYSA-N
MW243.26 g/mol
LogP3.15
Rot. Bonds3

About 3-(furan-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole

3-(furan-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 53316962) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-(furan-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(furan-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID53316962
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name3-(furan-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2CC(c3ccoc3)=NO2)cc1
InChIInChI=1S/C14H13NO3/c1-16-12-4-2-10(3-5-12)14-8-13(15-18-14)11-6-7-17-9-11/h2-7,9,14H,8H2,1H3
InChIKeyDWIFCHVPUIMXHF-UHFFFAOYSA-N
XLogP3.15
TPSA43.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 102399279
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-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 53247691
5-(furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 21065040
[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine
CID 105458829
5-(4-methoxyphenyl)-3-(5-methyl-1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole
CID 122372985
2-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenol
CID 10612032
(5R)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562212
(5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 99994013
[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11310285
[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11041952
(5S)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 162348675

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(furan-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole (CID 53316962) is 3-(furan-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(furan-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(furan-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole is COc1ccc(C2CC(c3ccoc3)=NO2)cc1.
What is the InChIKey of 3-(furan-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is DWIFCHVPUIMXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-16-12-4-2-10(3-5-12)14-8-13(15-18-14)11-6-7-17-9-11/h2-7,9,14H,8H2,1H3.
What are the key properties of 3-(furan-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
3-(furan-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 243.26 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 53316962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).