7-(4-methoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one

C22H24N2O3 — CID 16735383

IUPAC7-(4-methoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one
SMILESCOc1ccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1
InChIInChI=1S/C22H24N2O3/c1-26-18-13-11-17(12-14-18)8-4-2-3-5-10-20(25)22-24-16-21(27-22)19-9-6-7-15-23-19/h6-7,9,11-16H,2-5,8,10H2,1H3
InChIKeyDCNZTWQVUGZHKE-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.12
Rot. Bonds10

About 7-(4-methoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one

7-(4-methoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one (PubChem CID 16735383) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one
PubChem CID16735383
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name7-(4-methoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one
SMILESCOc1ccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1
InChIInChI=1S/C22H24N2O3/c1-26-18-13-11-17(12-14-18)8-4-2-3-5-10-20(25)22-24-16-21(27-22)19-9-6-7-15-23-19/h6-7,9,11-16H,2-5,8,10H2,1H3
InChIKeyDCNZTWQVUGZHKE-UHFFFAOYSA-N
XLogP5.12
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

OL-135
CID 10427006
Mitoglitazone
CID 10429242
3-(5-(4-Methoxyphenyl)-2-oxazolyl)pyridine
CID 928446
Pyridine, 3-[5-[4-[(3-methyl-2-butenyl)oxy]phenyl]-2-oxazolyl]-
CID 617263
7-Phenyl-1-[5-(Pyridin-2-Yl)-1,3,4-Oxadiazol-2-Yl]heptan-1-One
CID 11484453
1-[5-(Pyridin-2-yl)-1,3-oxazol-2-yl]-7-[3-(trifluoromethyl)phenyl]heptan-1-one
CID 16735158
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-(benzyloxy)phenyl)propane
CID 16735159
7-(2,3-Dichlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16735549
Methyl 2-{7-oxo-7-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptyl}benzoate
CID 16736221
3-(4-(Phenoxymethyl)phenyl)-1-(5-(pyridin-2-yl)oxazol-2-yl)propan-1-one
CID 16736226
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(3-chlorophenyl)heptane
CID 16736447
3-(4-Phenylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]propan-1-one
CID 16737951

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one?
The IUPAC name of 7-(4-methoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one (CID 16735383) is 7-(4-methoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one.
What is the SMILES notation for 7-(4-methoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one?
The canonical SMILES for 7-(4-methoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one is COc1ccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one?
The InChIKey is DCNZTWQVUGZHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-26-18-13-11-17(12-14-18)8-4-2-3-5-10-20(25)22-24-16-21(27-22)19-9-6-7-15-23-19/h6-7,9,11-16H,2-5,8,10H2,1H3.
What are the key properties of 7-(4-methoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one?
7-(4-methoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one has a molecular weight of 364.45 g/mol, XLogP of 5.12, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one is sourced from PubChem (CID 16735383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).