[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl quinoline-2-carboxylate

C21H18N2O4 — CID 2978935

IUPAC[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl quinoline-2-carboxylate
SMILESCOc1ccccc1C1=NOC(COC(=O)c2ccc3ccccc3n2)C1
InChIInChI=1S/C21H18N2O4/c1-25-20-9-5-3-7-16(20)19-12-15(27-23-19)13-26-21(24)18-11-10-14-6-2-4-8-17(14)22-18/h2-11,15H,12-13H2,1H3
InChIKeyCHCAVISBWJCKDP-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.59
Rot. Bonds5

About [3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl quinoline-2-carboxylate

[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl quinoline-2-carboxylate (PubChem CID 2978935) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl quinoline-2-carboxylate.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl quinoline-2-carboxylate
PubChem CID2978935
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl quinoline-2-carboxylate
SMILESCOc1ccccc1C1=NOC(COC(=O)c2ccc3ccccc3n2)C1
InChIInChI=1S/C21H18N2O4/c1-25-20-9-5-3-7-16(20)19-12-15(27-23-19)13-26-21(24)18-11-10-14-6-2-4-8-17(14)22-18/h2-11,15H,12-13H2,1H3
InChIKeyCHCAVISBWJCKDP-UHFFFAOYSA-N
XLogP3.59
TPSA70.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl quinoline-2-carboxylate?
The IUPAC name of [3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl quinoline-2-carboxylate (CID 2978935) is [3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl quinoline-2-carboxylate.
What is the SMILES notation for [3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl quinoline-2-carboxylate?
The canonical SMILES for [3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl quinoline-2-carboxylate is COc1ccccc1C1=NOC(COC(=O)c2ccc3ccccc3n2)C1.
What is the InChIKey of [3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl quinoline-2-carboxylate?
The InChIKey is CHCAVISBWJCKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-25-20-9-5-3-7-16(20)19-12-15(27-23-19)13-26-21(24)18-11-10-14-6-2-4-8-17(14)22-18/h2-11,15H,12-13H2,1H3.
What are the key properties of [3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl quinoline-2-carboxylate?
[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl quinoline-2-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl quinoline-2-carboxylate is sourced from PubChem (CID 2978935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).