5-(4-methoxyanilino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile

C18H15N3O3 — CID 950402

IUPAC5-(4-methoxyanilino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(Nc2oc(-c3ccc(OC)cc3)nc2C#N)cc1
InChIInChI=1S/C18H15N3O3/c1-22-14-7-3-12(4-8-14)17-21-16(11-19)18(24-17)20-13-5-9-15(23-2)10-6-13/h3-10,20H,1-2H3
InChIKeyQZTRFKCNOMGWIX-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.97
Rot. Bonds5

About 5-(4-methoxyanilino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile

5-(4-methoxyanilino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 950402) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 5-(4-methoxyanilino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-methoxyanilino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile
PubChem CID950402
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name5-(4-methoxyanilino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(Nc2oc(-c3ccc(OC)cc3)nc2C#N)cc1
InChIInChI=1S/C18H15N3O3/c1-22-14-7-3-12(4-8-14)17-21-16(11-19)18(24-17)20-13-5-9-15(23-2)10-6-13/h3-10,20H,1-2H3
InChIKeyQZTRFKCNOMGWIX-UHFFFAOYSA-N
XLogP3.97
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-(dimethylamino)-1,3-oxazole-4-carbonitrile
CID 663459
2-(4-Methoxyphenyl)benzo[d]oxazole
CID 483837
5-[(4-Methoxyphenyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 693659
2-(4-Fluorophenyl)-5-(4-methoxyanilino)-4-oxazolecarbonitrile
CID 693660
2-(4-Ethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
CID 891985
2-(4-Ethoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
CID 1984543
2-(4-Methoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
CID 2941177
4-methoxy-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3511724
4-ethoxy-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4587996
2-(2-Fluorophenyl)-5-(4-methoxyanilino)-4-oxazolecarbonitrile
CID 949776
5-(Cyclopropylamino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 661030
2-(4-Ethoxyphenyl)-5-(4-ethylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
CID 661181

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyanilino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(4-methoxyanilino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile (CID 950402) is 5-(4-methoxyanilino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(4-methoxyanilino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(4-methoxyanilino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile is COc1ccc(Nc2oc(-c3ccc(OC)cc3)nc2C#N)cc1.
What is the InChIKey of 5-(4-methoxyanilino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is QZTRFKCNOMGWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-22-14-7-3-12(4-8-14)17-21-16(11-19)18(24-17)20-13-5-9-15(23-2)10-6-13/h3-10,20H,1-2H3.
What are the key properties of 5-(4-methoxyanilino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile?
5-(4-methoxyanilino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 321.34 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyanilino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 950402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).