5-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

C19H20N4O2S — CID 43842791

IUPAC5-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(C(CNc2oc(-c3cccs3)nc2C#N)N(C)C)cc1
InChIInChI=1S/C19H20N4O2S/c1-23(2)16(13-6-8-14(24-3)9-7-13)12-21-18-15(11-20)22-19(25-18)17-5-4-10-26-17/h4-10,16,21H,12H2,1-3H3
InChIKeyUVDVFRUCUOPZIZ-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.00
Rot. Bonds7

About 5-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

5-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 43842791) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID43842791
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name5-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(C(CNc2oc(-c3cccs3)nc2C#N)N(C)C)cc1
InChIInChI=1S/C19H20N4O2S/c1-23(2)16(13-6-8-14(24-3)9-7-13)12-21-18-15(11-20)22-19(25-18)17-5-4-10-26-17/h4-10,16,21H,12H2,1-3H3
InChIKeyUVDVFRUCUOPZIZ-UHFFFAOYSA-N
XLogP4.00
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 34924769
5-[[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 35342553
5-(ethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 139582427
5-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile
CID 35181180
5-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
CID 35342753
5-[[4-(2-fluorophenoxy)phenyl]methylamino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 171692000
5-[[(2S)-2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
CID 39835718
ethanol;bis(5-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile)
CID 146121027
5-[[(2R)-2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-ethyl-1,3-oxazole-4-carbonitrile
CID 39835724
1-(4-methoxyphenyl)-N,N-dimethyl-N'-pyridin-4-ylethane-1,2-diamine
CID 82538540
2-tert-butyl-5-[[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-1,3-oxazole-4-carbonitrile
CID 35043823
cyclohexane;bis(5-[[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]amino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile)
CID 163342514

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (CID 43842791) is 5-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is COc1ccc(C(CNc2oc(-c3cccs3)nc2C#N)N(C)C)cc1.
What is the InChIKey of 5-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is UVDVFRUCUOPZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-23(2)16(13-6-8-14(24-3)9-7-13)12-21-18-15(11-20)22-19(25-18)17-5-4-10-26-17/h4-10,16,21H,12H2,1-3H3.
What are the key properties of 5-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
5-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 368.46 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 43842791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).