N-(4-methyl-1,3-oxazol-2-yl)azepane-1-carboxamide

C11H17N3O2 — CID 115671093

IUPACN-(4-methyl-1,3-oxazol-2-yl)azepane-1-carboxamide
SMILESCc1coc(NC(=O)N2CCCCCC2)n1
InChIInChI=1S/C11H17N3O2/c1-9-8-16-10(12-9)13-11(15)14-6-4-2-3-5-7-14/h8H,2-7H2,1H3,(H,12,13,15)
InChIKeyCJQNOXLXBFDTMD-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.39
Rot. Bonds1

About N-(4-methyl-1,3-oxazol-2-yl)azepane-1-carboxamide

N-(4-methyl-1,3-oxazol-2-yl)azepane-1-carboxamide (PubChem CID 115671093) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(4-methyl-1,3-oxazol-2-yl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-oxazol-2-yl)azepane-1-carboxamide
PubChem CID115671093
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(4-methyl-1,3-oxazol-2-yl)azepane-1-carboxamide
SMILESCc1coc(NC(=O)N2CCCCCC2)n1
InChIInChI=1S/C11H17N3O2/c1-9-8-16-10(12-9)13-11(15)14-6-4-2-3-5-7-14/h8H,2-7H2,1H3,(H,12,13,15)
InChIKeyCJQNOXLXBFDTMD-UHFFFAOYSA-N
XLogP2.39
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-oxazol-2-yl)azepane-1-carboxamide?
The IUPAC name of N-(4-methyl-1,3-oxazol-2-yl)azepane-1-carboxamide (CID 115671093) is N-(4-methyl-1,3-oxazol-2-yl)azepane-1-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-oxazol-2-yl)azepane-1-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-oxazol-2-yl)azepane-1-carboxamide is Cc1coc(NC(=O)N2CCCCCC2)n1.
What is the InChIKey of N-(4-methyl-1,3-oxazol-2-yl)azepane-1-carboxamide?
The InChIKey is CJQNOXLXBFDTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-9-8-16-10(12-9)13-11(15)14-6-4-2-3-5-7-14/h8H,2-7H2,1H3,(H,12,13,15).
What are the key properties of N-(4-methyl-1,3-oxazol-2-yl)azepane-1-carboxamide?
N-(4-methyl-1,3-oxazol-2-yl)azepane-1-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-oxazol-2-yl)azepane-1-carboxamide is sourced from PubChem (CID 115671093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).