N-[1-(5-ethenyl-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide

C21H21N3O2 — CID 91098957

IUPACN-[1-(5-ethenyl-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide
SMILESC=Cc1ccc(C(C)NC(=O)Cc2ccc(-c3cnoc3C)cc2)nc1
InChIInChI=1S/C21H21N3O2/c1-4-16-7-10-20(22-12-16)14(2)24-21(25)11-17-5-8-18(9-6-17)19-13-23-26-15(19)3/h4-10,12-14H,1,11H2,2-3H3,(H,24,25)
InChIKeyQCGGJIFUCPSWGA-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.11
Rot. Bonds6

About N-[1-(5-ethenyl-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide

N-[1-(5-ethenyl-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide (PubChem CID 91098957) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[1-(5-ethenyl-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-(5-ethenyl-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide
PubChem CID91098957
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[1-(5-ethenyl-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide
SMILESC=Cc1ccc(C(C)NC(=O)Cc2ccc(-c3cnoc3C)cc2)nc1
InChIInChI=1S/C21H21N3O2/c1-4-16-7-10-20(22-12-16)14(2)24-21(25)11-17-5-8-18(9-6-17)19-13-23-26-15(19)3/h4-10,12-14H,1,11H2,2-3H3,(H,24,25)
InChIKeyQCGGJIFUCPSWGA-UHFFFAOYSA-N
XLogP4.11
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethenyl-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide?
The IUPAC name of N-[1-(5-ethenyl-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide (CID 91098957) is N-[1-(5-ethenyl-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[1-(5-ethenyl-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-[1-(5-ethenyl-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide is C=Cc1ccc(C(C)NC(=O)Cc2ccc(-c3cnoc3C)cc2)nc1.
What is the InChIKey of N-[1-(5-ethenyl-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide?
The InChIKey is QCGGJIFUCPSWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-4-16-7-10-20(22-12-16)14(2)24-21(25)11-17-5-8-18(9-6-17)19-13-23-26-15(19)3/h4-10,12-14H,1,11H2,2-3H3,(H,24,25).
What are the key properties of N-[1-(5-ethenyl-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide?
N-[1-(5-ethenyl-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethenyl-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 91098957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).