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

C17H15NO4 — CID 57413607

IUPAC5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(C2=NCC(c3ccc4c(c3)OCO4)O2)cc1
InChIInChI=1S/C17H15NO4/c1-19-13-5-2-11(3-6-13)17-18-9-16(22-17)12-4-7-14-15(8-12)21-10-20-14/h2-8,16H,9-10H2,1H3
InChIKeyGUUPLAHVNKBXNJ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.94
Rot. Bonds3

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

5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 57413607) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID57413607
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(C2=NCC(c3ccc4c(c3)OCO4)O2)cc1
InChIInChI=1S/C17H15NO4/c1-19-13-5-2-11(3-6-13)17-18-9-16(22-17)12-4-7-14-15(8-12)21-10-20-14/h2-8,16H,9-10H2,1H3
InChIKeyGUUPLAHVNKBXNJ-UHFFFAOYSA-N
XLogP2.94
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2,3-dihydro-1H-isoindole
CID 15859200
5-phenyl-2-[4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
CID 127262929
5-(fluoromethyl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 138964471
2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole
CID 132564223
5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-methyl-2H-pyridine
CID 163717013
(2S)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 10336604
2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-6-methyl-2H-chromene-3-carboxylic acid
CID 22897789
(2R,3S)-2-(1,3-benzodioxol-5-yl)-7-methoxy-3,4-dihydro-2H-chromen-3-ol
CID 163024349
3-[3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloropyridazine
CID 102167995
(NZ)-N-[[(1S,2S)-2-(1,3-benzodioxol-5-yl)cyclopropyl]-(4-methoxyphenyl)methylidene]hydroxylamine
CID 40542779
5-[[4-(1,3-benzodioxol-5-ylmethyl)-6-(4-methoxyphenyl)-1,3,5-trioxan-2-yl]methyl]-1,3-benzodioxole
CID 20709986
5-(4-methoxyphenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole
CID 115061508

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole (CID 57413607) is 5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole is COc1ccc(C2=NCC(c3ccc4c(c3)OCO4)O2)cc1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is GUUPLAHVNKBXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-19-13-5-2-11(3-6-13)17-18-9-16(22-17)12-4-7-14-15(8-12)21-10-20-14/h2-8,16H,9-10H2,1H3.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole?
5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 297.31 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 57413607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).