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

C15H23N3O3 — CID 138057337

IUPAC3,3-dimethyl-N-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]azetidine-2-carboxamide
SMILESCc1cc(C2(NC(=O)C3NCC3(C)C)CCOCC2)on1
InChIInChI=1S/C15H23N3O3/c1-10-8-11(21-18-10)15(4-6-20-7-5-15)17-13(19)12-14(2,3)9-16-12/h8,12,16H,4-7,9H2,1-3H3,(H,17,19)
InChIKeySOTADXFEFCJTLP-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.10
Rot. Bonds3

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

3,3-dimethyl-N-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]azetidine-2-carboxamide (PubChem CID 138057337) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3,3-dimethyl-N-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]azetidine-2-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]azetidine-2-carboxamide
PubChem CID138057337
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3,3-dimethyl-N-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]azetidine-2-carboxamide
SMILESCc1cc(C2(NC(=O)C3NCC3(C)C)CCOCC2)on1
InChIInChI=1S/C15H23N3O3/c1-10-8-11(21-18-10)15(4-6-20-7-5-15)17-13(19)12-14(2,3)9-16-12/h8,12,16H,4-7,9H2,1-3H3,(H,17,19)
InChIKeySOTADXFEFCJTLP-UHFFFAOYSA-N
XLogP1.10
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]azetidine-2-carboxamide?
The IUPAC name of 3,3-dimethyl-N-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]azetidine-2-carboxamide (CID 138057337) is 3,3-dimethyl-N-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]azetidine-2-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]azetidine-2-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]azetidine-2-carboxamide is Cc1cc(C2(NC(=O)C3NCC3(C)C)CCOCC2)on1.
What is the InChIKey of 3,3-dimethyl-N-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]azetidine-2-carboxamide?
The InChIKey is SOTADXFEFCJTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-8-11(21-18-10)15(4-6-20-7-5-15)17-13(19)12-14(2,3)9-16-12/h8,12,16H,4-7,9H2,1-3H3,(H,17,19).
What are the key properties of 3,3-dimethyl-N-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]azetidine-2-carboxamide?
3,3-dimethyl-N-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]azetidine-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]azetidine-2-carboxamide is sourced from PubChem (CID 138057337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).