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

C11H15N3O2 — CID 103949036

IUPAC2-cyano-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
SMILESCc1cnc(C(C)NC(=O)C(C)(C)C#N)o1
InChIInChI=1S/C11H15N3O2/c1-7-5-13-9(16-7)8(2)14-10(15)11(3,4)6-12/h5,8H,1-4H3,(H,14,15)
InChIKeyKSYNKGMXRWDFQU-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.71
Rot. Bonds3

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

2-cyano-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide (PubChem CID 103949036) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
PubChem CID103949036
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-cyano-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
SMILESCc1cnc(C(C)NC(=O)C(C)(C)C#N)o1
InChIInChI=1S/C11H15N3O2/c1-7-5-13-9(16-7)8(2)14-10(15)11(3,4)6-12/h5,8H,1-4H3,(H,14,15)
InChIKeyKSYNKGMXRWDFQU-UHFFFAOYSA-N
XLogP1.71
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{[5-(propan-2-yl)-1,3-oxazol-2-yl]methyl}-N-(pyrrolidin-3-yl)acetamide
CID 71873201
(5-Methyl-1,3-Oxazol-2-Yl)Methanamine
CID 24254960
1-(5-Methyl-1,3-oxazol-2-yl)ethan-1-amine
CID 24255020
(5-Ethyl-1,3-oxazol-2-yl)methanamine
CID 65180193
(2-Ethyl-1,3-oxazol-5-yl)methanamine
CID 82074647
1-(2-Tert-butyl-1,3-oxazol-5-yl)methanamine
CID 82074678
(5-Methyl-1,3-oxazol-2-yl)methanamine hydrochloride
CID 134129825
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide hydrochloride
CID 71756632
1-[2-(Propan-2-yl)-1,3-oxazol-5-yl]methanamine
CID 82074655
2,2,2-Trifluoro-1-(5-methyloxazol-2-yl)ethan-1-aminium chloride
CID 168474941
t-Butyl [2,2,2-trifluoro-1-(5-methyloxazol-2-yl)ethyl]-carbamate
CID 168475044
2-Tert-butyl-5-methyl-1,3-oxazole
CID 19797157

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide?
The IUPAC name of 2-cyano-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide (CID 103949036) is 2-cyano-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide?
The canonical SMILES for 2-cyano-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide is Cc1cnc(C(C)NC(=O)C(C)(C)C#N)o1.
What is the InChIKey of 2-cyano-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide?
The InChIKey is KSYNKGMXRWDFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-5-13-9(16-7)8(2)14-10(15)11(3,4)6-12/h5,8H,1-4H3,(H,14,15).
What are the key properties of 2-cyano-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide?
2-cyano-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide has a molecular weight of 221.26 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 103949036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).