3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]-N,N-diethyl-5-methoxybenzamide

C22H22N4O3 — CID 166108154

IUPAC3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]-N,N-diethyl-5-methoxybenzamide
SMILESCCN(CC)C(=O)c1cc(Nc2ncc(-c3ccc(C#N)cc3)o2)cc(OC)c1
InChIInChI=1S/C22H22N4O3/c1-4-26(5-2)21(27)17-10-18(12-19(11-17)28-3)25-22-24-14-20(29-22)16-8-6-15(13-23)7-9-16/h6-12,14H,4-5H2,1-3H3,(H,24,25)
InChIKeyICRFROHOJHZPDR-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.45
Rot. Bonds7

About 3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]-N,N-diethyl-5-methoxybenzamide

3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]-N,N-diethyl-5-methoxybenzamide (PubChem CID 166108154) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]-N,N-diethyl-5-methoxybenzamide.

Molecular Properties

Compound Name3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]-N,N-diethyl-5-methoxybenzamide
PubChem CID166108154
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]-N,N-diethyl-5-methoxybenzamide
SMILESCCN(CC)C(=O)c1cc(Nc2ncc(-c3ccc(C#N)cc3)o2)cc(OC)c1
InChIInChI=1S/C22H22N4O3/c1-4-26(5-2)21(27)17-10-18(12-19(11-17)28-3)25-22-24-14-20(29-22)16-8-6-15(13-23)7-9-16/h6-12,14H,4-5H2,1-3H3,(H,24,25)
InChIKeyICRFROHOJHZPDR-UHFFFAOYSA-N
XLogP4.45
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-cyanoanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262455
3,5-bis(4-cyanophenoxy)-N,N-diethylbenzamide
CID 66818676
4-[[5-(4-nitrophenyl)-1,3-oxazol-2-yl]amino]benzonitrile
CID 162640026
4-[2-[2-chloro-5-[[2-(4-cyanophenyl)-2-oxoethyl]amino]anilino]-1,3-oxazol-5-yl]benzonitrile
CID 11965601
4-[2-[3-[[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]amino]anilino]-1,3-oxazol-5-yl]benzonitrile
CID 162591343
N,N-diethyl-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109262395
4-[2-[(2,4-dimethoxy-N-methylanilino)methyl]-1,3-oxazol-5-yl]benzonitrile
CID 99631218
N-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide
CID 28707665
ethyl 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzoate
CID 139225247
5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 63716894
methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate
CID 139441240
methyl 5-(4-cyanophenyl)furan-3-carboxylate
CID 90487672

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]-N,N-diethyl-5-methoxybenzamide?
The IUPAC name of 3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]-N,N-diethyl-5-methoxybenzamide (CID 166108154) is 3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]-N,N-diethyl-5-methoxybenzamide.
What is the SMILES notation for 3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]-N,N-diethyl-5-methoxybenzamide?
The canonical SMILES for 3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]-N,N-diethyl-5-methoxybenzamide is CCN(CC)C(=O)c1cc(Nc2ncc(-c3ccc(C#N)cc3)o2)cc(OC)c1.
What is the InChIKey of 3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]-N,N-diethyl-5-methoxybenzamide?
The InChIKey is ICRFROHOJHZPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-4-26(5-2)21(27)17-10-18(12-19(11-17)28-3)25-22-24-14-20(29-22)16-8-6-15(13-23)7-9-16/h6-12,14H,4-5H2,1-3H3,(H,24,25).
What are the key properties of 3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]-N,N-diethyl-5-methoxybenzamide?
3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]-N,N-diethyl-5-methoxybenzamide has a molecular weight of 390.44 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]-N,N-diethyl-5-methoxybenzamide is sourced from PubChem (CID 166108154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).