azepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)azetidin-3-yl]methanone

C16H23N3O3 — CID 92633078

IUPACazepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)azetidin-3-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CC(C(=O)N3CCCCCC3)C2)o1
InChIInChI=1S/C16H23N3O3/c1-11-14(22-12(2)17-11)16(21)19-9-13(10-19)15(20)18-7-5-3-4-6-8-18/h13H,3-10H2,1-2H3
InChIKeyFHZKDDSVMUKJAH-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.77
Rot. Bonds2

About azepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)azetidin-3-yl]methanone

azepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)azetidin-3-yl]methanone (PubChem CID 92633078) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is azepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)azetidin-3-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)azetidin-3-yl]methanone
PubChem CID92633078
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Nameazepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)azetidin-3-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CC(C(=O)N3CCCCCC3)C2)o1
InChIInChI=1S/C16H23N3O3/c1-11-14(22-12(2)17-11)16(21)19-9-13(10-19)15(20)18-7-5-3-4-6-8-18/h13H,3-10H2,1-2H3
InChIKeyFHZKDDSVMUKJAH-UHFFFAOYSA-N
XLogP1.77
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)azetidin-3-yl]methanone?
The IUPAC name of azepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)azetidin-3-yl]methanone (CID 92633078) is azepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)azetidin-3-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)azetidin-3-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)azetidin-3-yl]methanone is Cc1nc(C)c(C(=O)N2CC(C(=O)N3CCCCCC3)C2)o1.
What is the InChIKey of azepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)azetidin-3-yl]methanone?
The InChIKey is FHZKDDSVMUKJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-14(22-12(2)17-11)16(21)19-9-13(10-19)15(20)18-7-5-3-4-6-8-18/h13H,3-10H2,1-2H3.
What are the key properties of azepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)azetidin-3-yl]methanone?
azepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)azetidin-3-yl]methanone has a molecular weight of 305.38 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)azetidin-3-yl]methanone is sourced from PubChem (CID 92633078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).