5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile

C19H25N4O3+ — CID 2003052

IUPAC5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile
SMILESCCCOc1ccc(-c2nc(C#N)c(NCC[NH+]3CCOCC3)o2)cc1
InChIInChI=1S/C19H24N4O3/c1-2-11-25-16-5-3-15(4-6-16)18-22-17(14-20)19(26-18)21-7-8-23-9-12-24-13-10-23/h3-6,21H,2,7-13H2,1H3/p+1
InChIKeyUKLZTJSWOBVQKC-UHFFFAOYSA-O
MW357.43 g/mol
LogP1.33
Rot. Bonds8

About 5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile

5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 2003052) has the molecular formula C19H25N4O3+ and a molecular weight of 357.43 g/mol. Its IUPAC name is 5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile
PubChem CID2003052
Molecular FormulaC19H25N4O3+
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile
SMILESCCCOc1ccc(-c2nc(C#N)c(NCC[NH+]3CCOCC3)o2)cc1
InChIInChI=1S/C19H24N4O3/c1-2-11-25-16-5-3-15(4-6-16)18-22-17(14-20)19(26-18)21-7-8-23-9-12-24-13-10-23/h3-6,21H,2,7-13H2,1H3/p+1
InChIKeyUKLZTJSWOBVQKC-UHFFFAOYSA-O
XLogP1.33
TPSA84.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(E)-2-(4-ethoxyphenyl)ethenyl]-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 7393869
2-(2-methoxyphenyl)-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 7587606
2-phenyl-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 5152099
5-(4-ethoxyanilino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 892137
3-[[4-cyano-2-(4-methoxyphenyl)-1,3-oxazol-5-yl]amino]propanoic acid
CID 46300082
4-(2-morpholin-4-ium-4-ylethoxy)benzonitrile
CID 7164632
2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile
CID 16958062
2-(4-methoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
CID 2941177
2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 16958100
2-(4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 17012723
4-[4-cyano-5-(2-methoxyethylamino)-1,3-oxazol-2-yl]-N,N-diethylbenzenesulfonamide
CID 16646235
4-[4-cyano-5-(2-methoxyethylamino)-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide
CID 16646185

Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile (CID 2003052) is 5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile is CCCOc1ccc(-c2nc(C#N)c(NCC[NH+]3CCOCC3)o2)cc1.
What is the InChIKey of 5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is UKLZTJSWOBVQKC-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N4O3/c1-2-11-25-16-5-3-15(4-6-16)18-22-17(14-20)19(26-18)21-7-8-23-9-12-24-13-10-23/h3-6,21H,2,7-13H2,1H3/p+1.
What are the key properties of 5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile?
5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 357.43 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 2003052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).