N-(3-cyanopentan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide

C11H15N3O2 — CID 55136511

IUPACN-(3-cyanopentan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCC(C#N)(CC)NC(=O)c1cnoc1C
InChIInChI=1S/C11H15N3O2/c1-4-11(5-2,7-12)14-10(15)9-6-13-16-8(9)3/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyYJQKPFBZCCKVAZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.80
Rot. Bonds4

About N-(3-cyanopentan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide

N-(3-cyanopentan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 55136511) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID55136511
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-(3-cyanopentan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCC(C#N)(CC)NC(=O)c1cnoc1C
InChIInChI=1S/C11H15N3O2/c1-4-11(5-2,7-12)14-10(15)9-6-13-16-8(9)3/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyYJQKPFBZCCKVAZ-UHFFFAOYSA-N
XLogP1.80
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopentan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-cyanopentan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 55136511) is N-(3-cyanopentan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide is CCC(C#N)(CC)NC(=O)c1cnoc1C.
What is the InChIKey of N-(3-cyanopentan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is YJQKPFBZCCKVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-4-11(5-2,7-12)14-10(15)9-6-13-16-8(9)3/h6H,4-5H2,1-3H3,(H,14,15).
What are the key properties of N-(3-cyanopentan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(3-cyanopentan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopentan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 55136511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).