N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]azetidine-3-carboxamide

C11H17N3O2 — CID 79236864

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]azetidine-3-carboxamide
SMILESCc1noc(C)c1C(C)NC(=O)C1CNC1
InChIInChI=1S/C11H17N3O2/c1-6(10-7(2)14-16-8(10)3)13-11(15)9-4-12-5-9/h6,9,12H,4-5H2,1-3H3,(H,13,15)
InChIKeyXXBWZQVMSJITOZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.69
Rot. Bonds3

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]azetidine-3-carboxamide

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]azetidine-3-carboxamide (PubChem CID 79236864) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]azetidine-3-carboxamide
PubChem CID79236864
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]azetidine-3-carboxamide
SMILESCc1noc(C)c1C(C)NC(=O)C1CNC1
InChIInChI=1S/C11H17N3O2/c1-6(10-7(2)14-16-8(10)3)13-11(15)9-4-12-5-9/h6,9,12H,4-5H2,1-3H3,(H,13,15)
InChIKeyXXBWZQVMSJITOZ-UHFFFAOYSA-N
XLogP0.69
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]azetidine-3-carboxamide?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]azetidine-3-carboxamide (CID 79236864) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]azetidine-3-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]azetidine-3-carboxamide is Cc1noc(C)c1C(C)NC(=O)C1CNC1.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]azetidine-3-carboxamide?
The InChIKey is XXBWZQVMSJITOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-6(10-7(2)14-16-8(10)3)13-11(15)9-4-12-5-9/h6,9,12H,4-5H2,1-3H3,(H,13,15).
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]azetidine-3-carboxamide?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]azetidine-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]azetidine-3-carboxamide is sourced from PubChem (CID 79236864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).