2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentanamide

C12H17N3O2 — CID 79236197

IUPAC2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentanamide
SMILESCCCC(C#N)C(=O)NCc1c(C)noc1C
InChIInChI=1S/C12H17N3O2/c1-4-5-10(6-13)12(16)14-7-11-8(2)15-17-9(11)3/h10H,4-5,7H2,1-3H3,(H,14,16)
InChIKeyPRQIQCPYPAITQV-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.85
Rot. Bonds5

About 2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentanamide

2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentanamide (PubChem CID 79236197) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentanamide
PubChem CID79236197
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentanamide
SMILESCCCC(C#N)C(=O)NCc1c(C)noc1C
InChIInChI=1S/C12H17N3O2/c1-4-5-10(6-13)12(16)14-7-11-8(2)15-17-9(11)3/h10H,4-5,7H2,1-3H3,(H,14,16)
InChIKeyPRQIQCPYPAITQV-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pentanamide
CID 79236986
(2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
CID 79236085
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide
CID 79235982
2-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
CID 79236983
2-cyano-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 106417471
4-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-oxopentanoic acid
CID 79235985
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbutanamide
CID 47861597
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1-methylurea
CID 115604567
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(ethylamino)acetamide
CID 79236491
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]propanamide
CID 79238382
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287476
2-cyano-N-(1H-imidazol-2-ylmethyl)pentanamide
CID 64530573

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentanamide?
The IUPAC name of 2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentanamide (CID 79236197) is 2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentanamide.
What is the SMILES notation for 2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentanamide?
The canonical SMILES for 2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentanamide is CCCC(C#N)C(=O)NCc1c(C)noc1C.
What is the InChIKey of 2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentanamide?
The InChIKey is PRQIQCPYPAITQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-4-5-10(6-13)12(16)14-7-11-8(2)15-17-9(11)3/h10H,4-5,7H2,1-3H3,(H,14,16).
What are the key properties of 2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentanamide?
2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentanamide has a molecular weight of 235.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentanamide is sourced from PubChem (CID 79236197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).