2-(azetidin-3-ylidene)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide

C15H16N4O2 — CID 116675868

IUPAC2-(azetidin-3-ylidene)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(-c2nnco2)cc1C)=C1CNC1
InChIInChI=1S/C15H16N4O2/c1-9-5-11(15-19-17-8-21-15)3-4-13(9)18-14(20)10(2)12-6-16-7-12/h3-5,8,16H,6-7H2,1-2H3,(H,18,20)
InChIKeyYBCZWXGHCIEXMN-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.90
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide

2-(azetidin-3-ylidene)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide (PubChem CID 116675868) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
PubChem CID116675868
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-(azetidin-3-ylidene)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(-c2nnco2)cc1C)=C1CNC1
InChIInChI=1S/C15H16N4O2/c1-9-5-11(15-19-17-8-21-15)3-4-13(9)18-14(20)10(2)12-6-16-7-12/h3-5,8,16H,6-7H2,1-2H3,(H,18,20)
InChIKeyYBCZWXGHCIEXMN-UHFFFAOYSA-N
XLogP1.90
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63681213
2-(azetidin-3-ylidene)-N-(4-iodo-2-methylphenyl)propanamide
CID 116675540
2-hydroxyethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate
CID 79345905
2-amino-4-methyl-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 43713909
2,2,2-trifluoroethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate
CID 65173469
N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine
CID 54906793
methyl 2-[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]propanoate
CID 66174734
N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide
CID 64585706
2-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 43706139
3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 62230630
2,2,2-trifluoro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63374700
2-(4-tert-butylphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-oxoacetamide
CID 75417439

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide (CID 116675868) is 2-(azetidin-3-ylidene)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide is CC(C(=O)Nc1ccc(-c2nnco2)cc1C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The InChIKey is YBCZWXGHCIEXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-5-11(15-19-17-8-21-15)3-4-13(9)18-14(20)10(2)12-6-16-7-12/h3-5,8,16H,6-7H2,1-2H3,(H,18,20).
What are the key properties of 2-(azetidin-3-ylidene)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
2-(azetidin-3-ylidene)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide has a molecular weight of 284.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 116675868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).