5-(cyclohexylamino)-2-[2-(4-ethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile

C20H23N3O2 — CID 4750718

IUPAC5-(cyclohexylamino)-2-[2-(4-ethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
SMILESCCOc1ccc(C=Cc2nc(C#N)c(NC3CCCCC3)o2)cc1
InChIInChI=1S/C20H23N3O2/c1-2-24-17-11-8-15(9-12-17)10-13-19-23-18(14-21)20(25-19)22-16-6-4-3-5-7-16/h8-13,16,22H,2-7H2,1H3
InChIKeyYTIASJWLCVQVRI-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.86
Rot. Bonds6

About 5-(cyclohexylamino)-2-[2-(4-ethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile

5-(cyclohexylamino)-2-[2-(4-ethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile (PubChem CID 4750718) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-(cyclohexylamino)-2-[2-(4-ethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(cyclohexylamino)-2-[2-(4-ethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
PubChem CID4750718
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name5-(cyclohexylamino)-2-[2-(4-ethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
SMILESCCOc1ccc(C=Cc2nc(C#N)c(NC3CCCCC3)o2)cc1
InChIInChI=1S/C20H23N3O2/c1-2-24-17-11-8-15(9-12-17)10-13-19-23-18(14-21)20(25-19)22-16-6-4-3-5-7-16/h8-13,16,22H,2-7H2,1H3
InChIKeyYTIASJWLCVQVRI-UHFFFAOYSA-N
XLogP4.86
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(E)-2-(4-ethoxyphenyl)ethenyl]-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
CID 6200477
5-(azepan-1-yl)-2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 6200473
2-[2-(4-ethoxyphenyl)ethenyl]-5-(1-phenylethylamino)-1,3-oxazole-4-carbonitrile
CID 4750720
2-[(E)-2-(4-ethoxyphenyl)ethenyl]-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 7393869
5-(4-acetylpiperazin-1-yl)-2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647564
2-[2-(4-ethoxyphenyl)ethenyl]-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 4750675
5-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-[2-(4-ethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 171320932
5-(ethylamino)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 6200321
2-[(E)-2-(3-methoxyphenyl)ethenyl]-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile
CID 40746038
2-[(E)-2-(3-methoxyphenyl)ethenyl]-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 6200347
2-[2-(3,4-dimethoxyphenyl)ethenyl]-5-(3-ethoxypropylamino)-1,3-oxazole-4-carbonitrile
CID 4750554
5-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647304

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-2-[2-(4-ethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(cyclohexylamino)-2-[2-(4-ethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile (CID 4750718) is 5-(cyclohexylamino)-2-[2-(4-ethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(cyclohexylamino)-2-[2-(4-ethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(cyclohexylamino)-2-[2-(4-ethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile is CCOc1ccc(C=Cc2nc(C#N)c(NC3CCCCC3)o2)cc1.
What is the InChIKey of 5-(cyclohexylamino)-2-[2-(4-ethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is YTIASJWLCVQVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-2-24-17-11-8-15(9-12-17)10-13-19-23-18(14-21)20(25-19)22-16-6-4-3-5-7-16/h8-13,16,22H,2-7H2,1H3.
What are the key properties of 5-(cyclohexylamino)-2-[2-(4-ethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile?
5-(cyclohexylamino)-2-[2-(4-ethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 337.42 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-2-[2-(4-ethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 4750718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).