2-(4-cyanoanilino)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide

C20H18N4O2 — CID 56569907

IUPAC2-(4-cyanoanilino)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCCc1ccc(-c2cc(NC(=O)CNc3ccc(C#N)cc3)on2)cc1
InChIInChI=1S/C20H18N4O2/c1-2-14-3-7-16(8-4-14)18-11-20(26-24-18)23-19(25)13-22-17-9-5-15(12-21)6-10-17/h3-11,22H,2,13H2,1H3,(H,23,25)
InChIKeyHNHSJSHFYAUMAV-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.83
Rot. Bonds6

About 2-(4-cyanoanilino)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide

2-(4-cyanoanilino)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide (PubChem CID 56569907) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide
PubChem CID56569907
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-(4-cyanoanilino)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCCc1ccc(-c2cc(NC(=O)CNc3ccc(C#N)cc3)on2)cc1
InChIInChI=1S/C20H18N4O2/c1-2-14-3-7-16(8-4-14)18-11-20(26-24-18)23-19(25)13-22-17-9-5-15(12-21)6-10-17/h3-11,22H,2,13H2,1H3,(H,23,25)
InChIKeyHNHSJSHFYAUMAV-UHFFFAOYSA-N
XLogP3.83
TPSA90.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56529985
3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56530069
N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 56544921
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 56544891
5-bromo-N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 56544732
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(4-nitrophenoxy)acetamide
CID 56530016
N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 56544823
3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56544955
5-bromo-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methylfuran-2-carboxamide
CID 56570434
2-(4-bromoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 16624216
(2S)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-imidazol-1-ylpropanamide
CID 96540684
2-(2,4-difluorophenoxy)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide
CID 56530159

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-(4-cyanoanilino)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide (CID 56569907) is 2-(4-cyanoanilino)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide is CCc1ccc(-c2cc(NC(=O)CNc3ccc(C#N)cc3)on2)cc1.
What is the InChIKey of 2-(4-cyanoanilino)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide?
The InChIKey is HNHSJSHFYAUMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-2-14-3-7-16(8-4-14)18-11-20(26-24-18)23-19(25)13-22-17-9-5-15(12-21)6-10-17/h3-11,22H,2,13H2,1H3,(H,23,25).
What are the key properties of 2-(4-cyanoanilino)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide?
2-(4-cyanoanilino)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide has a molecular weight of 346.39 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 56569907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).