N-cycloheptyl-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide

C13H20N2O3 — CID 4792847

IUPACN-cycloheptyl-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
SMILESCc1cc(OCC(=O)NC2CCCCCC2)no1
InChIInChI=1S/C13H20N2O3/c1-10-8-13(15-18-10)17-9-12(16)14-11-6-4-2-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,14,16)
InChIKeySRZUIDDIQNMMLF-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.20
Rot. Bonds4

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

N-cycloheptyl-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide (PubChem CID 4792847) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-cycloheptyl-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
PubChem CID4792847
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-cycloheptyl-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
SMILESCc1cc(OCC(=O)NC2CCCCCC2)no1
InChIInChI=1S/C13H20N2O3/c1-10-8-13(15-18-10)17-9-12(16)14-11-6-4-2-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,14,16)
InChIKeySRZUIDDIQNMMLF-UHFFFAOYSA-N
XLogP2.20
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide?
The IUPAC name of N-cycloheptyl-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide (CID 4792847) is N-cycloheptyl-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide?
The canonical SMILES for N-cycloheptyl-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide is Cc1cc(OCC(=O)NC2CCCCCC2)no1.
What is the InChIKey of N-cycloheptyl-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide?
The InChIKey is SRZUIDDIQNMMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10-8-13(15-18-10)17-9-12(16)14-11-6-4-2-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,14,16).
What are the key properties of N-cycloheptyl-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide?
N-cycloheptyl-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide has a molecular weight of 252.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide is sourced from PubChem (CID 4792847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).