2-(4-cyanophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide

C16H17N3O2 — CID 78961198

IUPAC2-(4-cyanophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
SMILESCc1noc(C)c1C(C)NC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C16H17N3O2/c1-10(16-11(2)19-21-12(16)3)18-15(20)8-13-4-6-14(9-17)7-5-13/h4-7,10H,8H2,1-3H3,(H,18,20)
InChIKeyUMFCBFKZPQYGGC-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.58
Rot. Bonds4

About 2-(4-cyanophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide

2-(4-cyanophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide (PubChem CID 78961198) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
PubChem CID78961198
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(4-cyanophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
SMILESCc1noc(C)c1C(C)NC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C16H17N3O2/c1-10(16-11(2)19-21-12(16)3)18-15(20)8-13-4-6-14(9-17)7-5-13/h4-7,10H,8H2,1-3H3,(H,18,20)
InChIKeyUMFCBFKZPQYGGC-UHFFFAOYSA-N
XLogP2.58
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]benzonitrile
CID 78961485
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78961689
2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 62403132
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypentanamide
CID 79237770
3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propanamide
CID 79237007
2-(4-cyanophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 63374945
2-(4-cyanophenyl)-N-(3-ethylpentan-2-yl)acetamide
CID 55259609
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660
2-cyano-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pentanamide
CID 79236986
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid
CID 79242440
2-(4-cyanophenyl)-N-pent-4-yn-2-ylacetamide
CID 113245290
3-[[2-(4-cyanophenyl)acetyl]amino]butanamide
CID 115664791

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide (CID 78961198) is 2-(4-cyanophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide is Cc1noc(C)c1C(C)NC(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide?
The InChIKey is UMFCBFKZPQYGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10(16-11(2)19-21-12(16)3)18-15(20)8-13-4-6-14(9-17)7-5-13/h4-7,10H,8H2,1-3H3,(H,18,20).
What are the key properties of 2-(4-cyanophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide?
2-(4-cyanophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide has a molecular weight of 283.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 78961198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).