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

C18H17FN4O2 — CID 45148668

IUPAC5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile
SMILESCN(C)C(CNc1oc(-c2ccccc2F)nc1C#N)c1ccco1
InChIInChI=1S/C18H17FN4O2/c1-23(2)15(16-8-5-9-24-16)11-21-18-14(10-20)22-17(25-18)12-6-3-4-7-13(12)19/h3-9,15,21H,11H2,1-2H3
InChIKeyXAGZNBYMNPTYBZ-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.66
Rot. Bonds6

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

5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 45148668) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile
PubChem CID45148668
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile
SMILESCN(C)C(CNc1oc(-c2ccccc2F)nc1C#N)c1ccco1
InChIInChI=1S/C18H17FN4O2/c1-23(2)15(16-8-5-9-24-16)11-21-18-14(10-20)22-17(25-18)12-6-3-4-7-13(12)19/h3-9,15,21H,11H2,1-2H3
InChIKeyXAGZNBYMNPTYBZ-UHFFFAOYSA-N
XLogP3.66
TPSA78.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile
CID 35181180
2-(2-fluorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 892575
5-[2-(furan-2-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
CID 121402470
2-(4-chlorophenyl)-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 35345526
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
5-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 34924769
2-tert-butyl-5-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 17013378
2-tert-butyl-5-[[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-1,3-oxazole-4-carbonitrile
CID 35043823
2-(2-methylphenyl)-5-[[(2R)-2-morpholin-4-ylpropyl]amino]-1,3-oxazole-4-carbonitrile
CID 95738521
5-[[(2R)-2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-ethyl-1,3-oxazole-4-carbonitrile
CID 39835724
3-chloro-5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-1,2-thiazole-4-carbonitrile
CID 56804303

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile (CID 45148668) is 5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile is CN(C)C(CNc1oc(-c2ccccc2F)nc1C#N)c1ccco1.
What is the InChIKey of 5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is XAGZNBYMNPTYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-23(2)15(16-8-5-9-24-16)11-21-18-14(10-20)22-17(25-18)12-6-3-4-7-13(12)19/h3-9,15,21H,11H2,1-2H3.
What are the key properties of 5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile?
5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 340.36 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 45148668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).