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

C12H17N3O2 — CID 114182407

IUPAC2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
SMILESCCCC(C#N)C(=O)NC(C)c1ncc(C)o1
InChIInChI=1S/C12H17N3O2/c1-4-5-10(6-13)11(16)15-9(3)12-14-7-8(2)17-12/h7,9-10H,4-5H2,1-3H3,(H,15,16)
InChIKeyMKVSNNCUMYWXMV-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.10
Rot. Bonds5

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

2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide (PubChem CID 114182407) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide.

Molecular Properties

Compound Name2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
PubChem CID114182407
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
SMILESCCCC(C#N)C(=O)NC(C)c1ncc(C)o1
InChIInChI=1S/C12H17N3O2/c1-4-5-10(6-13)11(16)15-9(3)12-14-7-8(2)17-12/h7,9-10H,4-5H2,1-3H3,(H,15,16)
InChIKeyMKVSNNCUMYWXMV-UHFFFAOYSA-N
XLogP2.10
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 104920659
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
(2S,3S)-2-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
CID 103951387
2-cyano-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 103949036
2-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106213470
2-cyano-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pentanamide
CID 79236986
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide
CID 106390070
1-ethyl-1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea
CID 103952282
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide
CID 106390071
(2S)-2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-phenylbutanamide
CID 106388377
4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 106387752

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide?
The IUPAC name of 2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide (CID 114182407) is 2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide.
What is the SMILES notation for 2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide?
The canonical SMILES for 2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide is CCCC(C#N)C(=O)NC(C)c1ncc(C)o1.
What is the InChIKey of 2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide?
The InChIKey is MKVSNNCUMYWXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-4-5-10(6-13)11(16)15-9(3)12-14-7-8(2)17-12/h7,9-10H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide?
2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide has a molecular weight of 235.29 g/mol, XLogP of 2.10, 5 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]pentanamide is sourced from PubChem (CID 114182407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).