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

C19H20N4O2S — CID 34924769

IUPAC5-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESCOc1ccccc1[C@@H](CNc1oc(-c2cccs2)nc1C#N)N(C)C
InChIInChI=1S/C19H20N4O2S/c1-23(2)15(13-7-4-5-8-16(13)24-3)12-21-18-14(11-20)22-19(25-18)17-9-6-10-26-17/h4-10,15,21H,12H2,1-3H3/t15-/m1/s1
InChIKeyXVWSLNNBOBRFFQ-OAHLLOKOSA-N
MW368.46 g/mol
LogP4.00
Rot. Bonds7

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

5-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 34924769) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 5-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID34924769
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name5-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESCOc1ccccc1[C@@H](CNc1oc(-c2cccs2)nc1C#N)N(C)C
InChIInChI=1S/C19H20N4O2S/c1-23(2)15(13-7-4-5-8-16(13)24-3)12-21-18-14(11-20)22-19(25-18)17-9-6-10-26-17/h4-10,15,21H,12H2,1-3H3/t15-/m1/s1
InChIKeyXVWSLNNBOBRFFQ-OAHLLOKOSA-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-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 43842791
5-[[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 35342553
2-tert-butyl-5-[[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-1,3-oxazole-4-carbonitrile
CID 35043823
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-[[4-(2-fluorophenoxy)phenyl]methylamino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 171692000
ethanol;bis(5-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile)
CID 146121027
5-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
CID 35342753
5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile
CID 45148668
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide;hydrochloride
CID 52985337
3-[[4-cyano-2-(2-methoxyphenyl)-1,3-oxazol-5-yl]amino]propyl-diethylazanium
CID 2014794
5-[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 35142556

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (CID 34924769) is 5-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is COc1ccccc1[C@@H](CNc1oc(-c2cccs2)nc1C#N)N(C)C.
What is the InChIKey of 5-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is XVWSLNNBOBRFFQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-23(2)15(13-7-4-5-8-16(13)24-3)12-21-18-14(11-20)22-19(25-18)17-9-6-10-26-17/h4-10,15,21H,12H2,1-3H3/t15-/m1/s1.
What are the key properties of 5-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
5-[[(2S)-2-(dimethylamino)-2-(2-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-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 34924769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).