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

C17H21N3O2 — CID 17012929

IUPAC5-[2-(4-methoxyphenyl)ethylamino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(CCNc2oc(CC(C)C)nc2C#N)cc1
InChIInChI=1S/C17H21N3O2/c1-12(2)10-16-20-15(11-18)17(22-16)19-9-8-13-4-6-14(21-3)7-5-13/h4-7,12,19H,8-10H2,1-3H3
InChIKeyRGXNRJPBQLYMSW-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.41
Rot. Bonds7

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

5-[2-(4-methoxyphenyl)ethylamino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile (PubChem CID 17012929) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)ethylamino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)ethylamino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
PubChem CID17012929
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name5-[2-(4-methoxyphenyl)ethylamino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(CCNc2oc(CC(C)C)nc2C#N)cc1
InChIInChI=1S/C17H21N3O2/c1-12(2)10-16-20-15(11-18)17(22-16)19-9-8-13-4-6-14(21-3)7-5-13/h4-7,12,19H,8-10H2,1-3H3
InChIKeyRGXNRJPBQLYMSW-UHFFFAOYSA-N
XLogP3.41
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(phenoxymethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
CID 3845513
5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-[(2-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 1051413
2-(2-methylpropyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
CID 2132012
2-(3-methoxyphenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
CID 73254074
2-[(3-chlorophenoxy)methyl]-5-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-oxazole-4-carbonitrile
CID 2014270
2-(naphthalen-1-ylmethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
CID 18818300
cyclohexane;bis(5-[[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]amino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile)
CID 163342514
5-[[(2S)-2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
CID 39835718
2-[(4-methoxyphenoxy)methyl]-5-[[(1S)-1-phenylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 713854
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
2-[2-(4-methoxyphenyl)ethylamino]acetonitrile
CID 28574147

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)ethylamino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[2-(4-methoxyphenyl)ethylamino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile (CID 17012929) is 5-[2-(4-methoxyphenyl)ethylamino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)ethylamino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[2-(4-methoxyphenyl)ethylamino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile is COc1ccc(CCNc2oc(CC(C)C)nc2C#N)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)ethylamino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is RGXNRJPBQLYMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(2)10-16-20-15(11-18)17(22-16)19-9-8-13-4-6-14(21-3)7-5-13/h4-7,12,19H,8-10H2,1-3H3.
What are the key properties of 5-[2-(4-methoxyphenyl)ethylamino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile?
5-[2-(4-methoxyphenyl)ethylamino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 299.37 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)ethylamino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 17012929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).