2-(azetidin-3-ylidene)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide

C11H15N3O2 — CID 106371486

IUPAC2-(azetidin-3-ylidene)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
SMILESCC(C(=O)NCc1ncc(C)o1)=C1CNC1
InChIInChI=1S/C11H15N3O2/c1-7-3-13-10(16-7)6-14-11(15)8(2)9-4-12-5-9/h3,12H,4-6H2,1-2H3,(H,14,15)
InChIKeyYBESGHDJWDBTKC-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.52
Rot. Bonds3

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

2-(azetidin-3-ylidene)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide (PubChem CID 106371486) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
PubChem CID106371486
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(azetidin-3-ylidene)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
SMILESCC(C(=O)NCc1ncc(C)o1)=C1CNC1
InChIInChI=1S/C11H15N3O2/c1-7-3-13-10(16-7)6-14-11(15)8(2)9-4-12-5-9/h3,12H,4-6H2,1-2H3,(H,14,15)
InChIKeyYBESGHDJWDBTKC-UHFFFAOYSA-N
XLogP0.52
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 103822240
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylpropanamide
CID 114180578
1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 83622965
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide
CID 106377758
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
CID 106374600
3-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371442
N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide
CID 106370608
1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 106374467
2-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371516
1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 110660494
4-amino-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
CID 103811604

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide (CID 106371486) is 2-(azetidin-3-ylidene)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide is CC(C(=O)NCc1ncc(C)o1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide?
The InChIKey is YBESGHDJWDBTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-3-13-10(16-7)6-14-11(15)8(2)9-4-12-5-9/h3,12H,4-6H2,1-2H3,(H,14,15).
What are the key properties of 2-(azetidin-3-ylidene)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide?
2-(azetidin-3-ylidene)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide has a molecular weight of 221.26 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide is sourced from PubChem (CID 106371486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).