2-(3-methyl-1,2-oxazol-5-yl)-N-[3-methyl-1-(3-phenylbutanoyl)azetidin-3-yl]acetamide

C20H25N3O3 — CID 167804331

IUPAC2-(3-methyl-1,2-oxazol-5-yl)-N-[3-methyl-1-(3-phenylbutanoyl)azetidin-3-yl]acetamide
SMILESCc1cc(CC(=O)NC2(C)CN(C(=O)CC(C)c3ccccc3)C2)on1
InChIInChI=1S/C20H25N3O3/c1-14(16-7-5-4-6-8-16)9-19(25)23-12-20(3,13-23)21-18(24)11-17-10-15(2)22-26-17/h4-8,10,14H,9,11-13H2,1-3H3,(H,21,24)
InChIKeyLJRHVOAOEOWQEZ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.44
Rot. Bonds6

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

2-(3-methyl-1,2-oxazol-5-yl)-N-[3-methyl-1-(3-phenylbutanoyl)azetidin-3-yl]acetamide (PubChem CID 167804331) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)-N-[3-methyl-1-(3-phenylbutanoyl)azetidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-1,2-oxazol-5-yl)-N-[3-methyl-1-(3-phenylbutanoyl)azetidin-3-yl]acetamide
PubChem CID167804331
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-(3-methyl-1,2-oxazol-5-yl)-N-[3-methyl-1-(3-phenylbutanoyl)azetidin-3-yl]acetamide
SMILESCc1cc(CC(=O)NC2(C)CN(C(=O)CC(C)c3ccccc3)C2)on1
InChIInChI=1S/C20H25N3O3/c1-14(16-7-5-4-6-8-16)9-19(25)23-12-20(3,13-23)21-18(24)11-17-10-15(2)22-26-17/h4-8,10,14H,9,11-13H2,1-3H3,(H,21,24)
InChIKeyLJRHVOAOEOWQEZ-UHFFFAOYSA-N
XLogP2.44
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[3-methyl-1-(3-phenylbutanoyl)azetidin-3-yl]acetamide?
The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[3-methyl-1-(3-phenylbutanoyl)azetidin-3-yl]acetamide (CID 167804331) is 2-(3-methyl-1,2-oxazol-5-yl)-N-[3-methyl-1-(3-phenylbutanoyl)azetidin-3-yl]acetamide.
What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)-N-[3-methyl-1-(3-phenylbutanoyl)azetidin-3-yl]acetamide?
The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)-N-[3-methyl-1-(3-phenylbutanoyl)azetidin-3-yl]acetamide is Cc1cc(CC(=O)NC2(C)CN(C(=O)CC(C)c3ccccc3)C2)on1.
What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)-N-[3-methyl-1-(3-phenylbutanoyl)azetidin-3-yl]acetamide?
The InChIKey is LJRHVOAOEOWQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(16-7-5-4-6-8-16)9-19(25)23-12-20(3,13-23)21-18(24)11-17-10-15(2)22-26-17/h4-8,10,14H,9,11-13H2,1-3H3,(H,21,24).
What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)-N-[3-methyl-1-(3-phenylbutanoyl)azetidin-3-yl]acetamide?
2-(3-methyl-1,2-oxazol-5-yl)-N-[3-methyl-1-(3-phenylbutanoyl)azetidin-3-yl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-oxazol-5-yl)-N-[3-methyl-1-(3-phenylbutanoyl)azetidin-3-yl]acetamide is sourced from PubChem (CID 167804331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).