3,5-dimethyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-4-carboxamide

C14H21N3O3 — CID 39513622

IUPAC3,5-dimethyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCN1CCCCCC1=O
InChIInChI=1S/C14H21N3O3/c1-10-13(11(2)20-16-10)14(19)15-7-9-17-8-5-3-4-6-12(17)18/h3-9H2,1-2H3,(H,15,19)
InChIKeyHBXOSTNCLIFDCJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.42
Rot. Bonds4

About 3,5-dimethyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 39513622) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-4-carboxamide
PubChem CID39513622
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3,5-dimethyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCN1CCCCCC1=O
InChIInChI=1S/C14H21N3O3/c1-10-13(11(2)20-16-10)14(19)15-7-9-17-8-5-3-4-6-12(17)18/h3-9H2,1-2H3,(H,15,19)
InChIKeyHBXOSTNCLIFDCJ-UHFFFAOYSA-N
XLogP1.42
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-4-carboxamide (CID 39513622) is 3,5-dimethyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCCN1CCCCCC1=O.
What is the InChIKey of 3,5-dimethyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is HBXOSTNCLIFDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-13(11(2)20-16-10)14(19)15-7-9-17-8-5-3-4-6-12(17)18/h3-9H2,1-2H3,(H,15,19).
What are the key properties of 3,5-dimethyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 39513622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).