2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide

C9H11N3O2 — CID 104920659

IUPAC2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
SMILESCc1cnc(C(C)NC(=O)CC#N)o1
InChIInChI=1S/C9H11N3O2/c1-6-5-11-9(14-6)7(2)12-8(13)3-4-10/h5,7H,3H2,1-2H3,(H,12,13)
InChIKeyPVFFCZNKESQQDS-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.07
Rot. Bonds3

About 2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide

2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide (PubChem CID 104920659) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
PubChem CID104920659
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
SMILESCc1cnc(C(C)NC(=O)CC#N)o1
InChIInChI=1S/C9H11N3O2/c1-6-5-11-9(14-6)7(2)12-8(13)3-4-10/h5,7H,3H2,1-2H3,(H,12,13)
InChIKeyPVFFCZNKESQQDS-UHFFFAOYSA-N
XLogP1.07
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide
CID 106390070
4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 106387752
5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
CID 106388099
3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide
CID 106388530
2-cyano-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 103949036
3-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butanamide
CID 106388299
2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
CID 114182407
2-anilino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 106388442
2-(1-aminocyclobutyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 106388275
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388094
3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388092
1-ethyl-1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea
CID 103952282

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide (CID 104920659) is 2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide is Cc1cnc(C(C)NC(=O)CC#N)o1.
What is the InChIKey of 2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide?
The InChIKey is PVFFCZNKESQQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6-5-11-9(14-6)7(2)12-8(13)3-4-10/h5,7H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide?
2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide has a molecular weight of 193.21 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 104920659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).