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

C22H24N2O2 — CID 16735381

IUPAC7-(2-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one
SMILESCc1ccccc1CCCCCCC(=O)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C22H24N2O2/c1-17-10-6-7-12-18(17)11-4-2-3-5-14-20(25)22-24-16-21(26-22)19-13-8-9-15-23-19/h6-10,12-13,15-16H,2-5,11,14H2,1H3
InChIKeyUFIXUGYHLZCFPI-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.42
Rot. Bonds9

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

7-(2-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one (PubChem CID 16735381) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 7-(2-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one.

Molecular Properties

Compound Name7-(2-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one
PubChem CID16735381
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name7-(2-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one
SMILESCc1ccccc1CCCCCCC(=O)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C22H24N2O2/c1-17-10-6-7-12-18(17)11-4-2-3-5-14-20(25)22-24-16-21(26-22)19-13-8-9-15-23-19/h6-10,12-13,15-16H,2-5,11,14H2,1H3
InChIKeyUFIXUGYHLZCFPI-UHFFFAOYSA-N
XLogP5.42
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7-[2-(trifluoromethyl)phenyl]heptan-1-one
CID 16736219
1-(5-pyridin-2-yl-1,3-oxazol-2-yl)nonan-1-one
CID 11426192
7-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)heptan-1-one
CID 11279040
1-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-2-en-1-one
CID 66775639
1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877
4-fluoro-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-1-one
CID 174592375
1-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 10943870
7-phenyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)heptan-1-one
CID 24951001
2,3-dihydro-1H-inden-2-yl-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
CID 52951687
1-[5-[2-(methylideneamino)phenyl]-1,3-oxazol-2-yl]-7-phenylheptan-1-one
CID 118402576
4-(2-methylphenyl)butanamide
CID 22103596
1-[5-(3-isocyanophenyl)-1,3-oxazol-2-yl]-7-phenylheptan-1-one
CID 58956226

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one?
The IUPAC name of 7-(2-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one (CID 16735381) is 7-(2-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one.
What is the SMILES notation for 7-(2-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one?
The canonical SMILES for 7-(2-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one is Cc1ccccc1CCCCCCC(=O)c1ncc(-c2ccccn2)o1.
What is the InChIKey of 7-(2-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one?
The InChIKey is UFIXUGYHLZCFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-17-10-6-7-12-18(17)11-4-2-3-5-14-20(25)22-24-16-21(26-22)19-13-8-9-15-23-19/h6-10,12-13,15-16H,2-5,11,14H2,1H3.
What are the key properties of 7-(2-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one?
7-(2-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one has a molecular weight of 348.45 g/mol, XLogP of 5.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one is sourced from PubChem (CID 16735381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).