5-[2-(4-methoxyphenyl)ethylamino]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile

C20H19N3O3 — CID 661503

IUPAC5-[2-(4-methoxyphenyl)ethylamino]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(CCNc2oc(COc3ccccc3)nc2C#N)cc1
InChIInChI=1S/C20H19N3O3/c1-24-16-9-7-15(8-10-16)11-12-22-20-18(13-21)23-19(26-20)14-25-17-5-3-2-4-6-17/h2-10,22H,11-12,14H2,1H3
InChIKeyVOSCNVPSJVNVQZ-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.79
Rot. Bonds8

About 5-[2-(4-methoxyphenyl)ethylamino]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile

5-[2-(4-methoxyphenyl)ethylamino]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile (PubChem CID 661503) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)ethylamino]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)ethylamino]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile
PubChem CID661503
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name5-[2-(4-methoxyphenyl)ethylamino]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(CCNc2oc(COc3ccccc3)nc2C#N)cc1
InChIInChI=1S/C20H19N3O3/c1-24-16-9-7-15(8-10-16)11-12-22-20-18(13-21)23-19(26-20)14-25-17-5-3-2-4-6-17/h2-10,22H,11-12,14H2,1H3
InChIKeyVOSCNVPSJVNVQZ-UHFFFAOYSA-N
XLogP3.79
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)ethylamino]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[2-(4-methoxyphenyl)ethylamino]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile (CID 661503) is 5-[2-(4-methoxyphenyl)ethylamino]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)ethylamino]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[2-(4-methoxyphenyl)ethylamino]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile is COc1ccc(CCNc2oc(COc3ccccc3)nc2C#N)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)ethylamino]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is VOSCNVPSJVNVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-24-16-9-7-15(8-10-16)11-12-22-20-18(13-21)23-19(26-20)14-25-17-5-3-2-4-6-17/h2-10,22H,11-12,14H2,1H3.
What are the key properties of 5-[2-(4-methoxyphenyl)ethylamino]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile?
5-[2-(4-methoxyphenyl)ethylamino]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 349.39 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)ethylamino]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 661503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).