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

C14H13NO3 — CID 21065040

IUPAC5-(furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2=NOC(c3ccco3)C2)cc1
InChIInChI=1S/C14H13NO3/c1-16-11-6-4-10(5-7-11)12-9-14(18-15-12)13-3-2-8-17-13/h2-8,14H,9H2,1H3
InChIKeyXXBSSBQWWPRAGO-UHFFFAOYSA-N
MW243.26 g/mol
LogP3.15
Rot. Bonds3

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

5-(furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 21065040) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID21065040
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name5-(furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2=NOC(c3ccco3)C2)cc1
InChIInChI=1S/C14H13NO3/c1-16-11-6-4-10(5-7-11)12-9-14(18-15-12)13-3-2-8-17-13/h2-8,14H,9H2,1H3
InChIKeyXXBSSBQWWPRAGO-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
2-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenol
CID 10612032
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
3-(furan-2-yl)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 3153490
(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 846237
[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11310285
(5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 99994013
[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11041952
1-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methoxyphenoxy)ethanone
CID 7865713
(5R)-3-(4-methoxyphenyl)-5-[(2S)-thiiran-2-yl]-4,5-dihydro-1,2-oxazole
CID 10966475
(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 1096397

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole (CID 21065040) is 5-(furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole is COc1ccc(C2=NOC(c3ccco3)C2)cc1.
What is the InChIKey of 5-(furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is XXBSSBQWWPRAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-16-11-6-4-10(5-7-11)12-9-14(18-15-12)13-3-2-8-17-13/h2-8,14H,9H2,1H3.
What are the key properties of 5-(furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
5-(furan-2-yl)-3-(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 5-(furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 21065040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).