5-(azepan-1-ylmethyl)-1,3-oxazole

C10H16N2O — CID 117192194

IUPAC5-(azepan-1-ylmethyl)-1,3-oxazole
SMILESc1ncc(CN2CCCCCC2)o1
InChIInChI=1S/C10H16N2O/c1-2-4-6-12(5-3-1)8-10-7-11-9-13-10/h7,9H,1-6,8H2
InChIKeySXNIGTYHFLAXQP-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.05
Rot. Bonds2

About 5-(azepan-1-ylmethyl)-1,3-oxazole

5-(azepan-1-ylmethyl)-1,3-oxazole (PubChem CID 117192194) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-(azepan-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(azepan-1-ylmethyl)-1,3-oxazole
PubChem CID117192194
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-(azepan-1-ylmethyl)-1,3-oxazole
SMILESc1ncc(CN2CCCCCC2)o1
InChIInChI=1S/C10H16N2O/c1-2-4-6-12(5-3-1)8-10-7-11-9-13-10/h7,9H,1-6,8H2
InChIKeySXNIGTYHFLAXQP-UHFFFAOYSA-N
XLogP2.05
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 5-(azepan-1-ylmethyl)-1,3-oxazole (CID 117192194) is 5-(azepan-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-(azepan-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 5-(azepan-1-ylmethyl)-1,3-oxazole is c1ncc(CN2CCCCCC2)o1.
What is the InChIKey of 5-(azepan-1-ylmethyl)-1,3-oxazole?
The InChIKey is SXNIGTYHFLAXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-4-6-12(5-3-1)8-10-7-11-9-13-10/h7,9H,1-6,8H2.
What are the key properties of 5-(azepan-1-ylmethyl)-1,3-oxazole?
5-(azepan-1-ylmethyl)-1,3-oxazole has a molecular weight of 180.25 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 117192194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).