azepan-1-yl-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone

C17H20N2O3 — CID 17252833

IUPACazepan-1-yl-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCCCC3)no2)cc1
InChIInChI=1S/C17H20N2O3/c1-21-14-8-6-13(7-9-14)16-12-15(18-22-16)17(20)19-10-4-2-3-5-11-19/h6-9,12H,2-5,10-11H2,1H3
InChIKeyFVPNNLVIERQVLD-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.37
Rot. Bonds3

About azepan-1-yl-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone

azepan-1-yl-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone (PubChem CID 17252833) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is azepan-1-yl-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone
PubChem CID17252833
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Nameazepan-1-yl-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCCCC3)no2)cc1
InChIInChI=1S/C17H20N2O3/c1-21-14-8-6-13(7-9-14)16-12-15(18-22-16)17(20)19-10-4-2-3-5-11-19/h6-9,12H,2-5,10-11H2,1H3
InChIKeyFVPNNLVIERQVLD-UHFFFAOYSA-N
XLogP3.37
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of azepan-1-yl-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone (CID 17252833) is azepan-1-yl-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for azepan-1-yl-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for azepan-1-yl-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCCCCC3)no2)cc1.
What is the InChIKey of azepan-1-yl-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is FVPNNLVIERQVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-14-8-6-13(7-9-14)16-12-15(18-22-16)17(20)19-10-4-2-3-5-11-19/h6-9,12H,2-5,10-11H2,1H3.
What are the key properties of azepan-1-yl-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
azepan-1-yl-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 300.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 17252833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).