4-(2,3-dihydropyridin-6-yl)-2-[(4-fluorophenyl)methyl]-5-methyl-1,3-oxazole

C16H15FN2O — CID 123485159

IUPAC4-(2,3-dihydropyridin-6-yl)-2-[(4-fluorophenyl)methyl]-5-methyl-1,3-oxazole
SMILESCc1oc(Cc2ccc(F)cc2)nc1C1=NCCC=C1
InChIInChI=1S/C16H15FN2O/c1-11-16(14-4-2-3-9-18-14)19-15(20-11)10-12-5-7-13(17)8-6-12/h2,4-8H,3,9-10H2,1H3
InChIKeyYSUPKQRUNZZFSX-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.46
Rot. Bonds3

About 4-(2,3-dihydropyridin-6-yl)-2-[(4-fluorophenyl)methyl]-5-methyl-1,3-oxazole

4-(2,3-dihydropyridin-6-yl)-2-[(4-fluorophenyl)methyl]-5-methyl-1,3-oxazole (PubChem CID 123485159) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-(2,3-dihydropyridin-6-yl)-2-[(4-fluorophenyl)methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(2,3-dihydropyridin-6-yl)-2-[(4-fluorophenyl)methyl]-5-methyl-1,3-oxazole
PubChem CID123485159
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name4-(2,3-dihydropyridin-6-yl)-2-[(4-fluorophenyl)methyl]-5-methyl-1,3-oxazole
SMILESCc1oc(Cc2ccc(F)cc2)nc1C1=NCCC=C1
InChIInChI=1S/C16H15FN2O/c1-11-16(14-4-2-3-9-18-14)19-15(20-11)10-12-5-7-13(17)8-6-12/h2,4-8H,3,9-10H2,1H3
InChIKeyYSUPKQRUNZZFSX-UHFFFAOYSA-N
XLogP3.46
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-4-phenyl-1,3-oxazole-2-carboxamide
CID 2739606
4H-Benzo(5,6)cyclohept(1,2-d)oxazole, 9,10-dihydro-2-methyl-4-(1-methyl-4-piperidylidene)-
CID 32043
2-Benzyl-5-(3,5-dimethyl-1-piperidinyl)-1,3-oxazole-4-carbonitrile
CID 11835463
4H-Benzo(5,6)cyclohept(1,2-d)oxazole, 9,10-dihydro-4-(3-(dimethylamino)propylidene)-2-ethyl-
CID 6435609
4-Benzyl-2-tert-butyl-5-(trifluoromethyl)-1,3-oxazole
CID 10779326
4-(4-Fluorophenyl)-2-methyloxazole
CID 12873102
2-Methyl-4-phenyl-5-trifluoromethyloxazole
CID 58020761
4-phenyl-2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,3-oxazole
CID 135030030
2,4-Dimethyl-5-phenyl-1,3-oxazole
CID 12220824
Oxazole, 2,5-dimethyl-4-phenyl-
CID 599323
Oxazole, 2,5-diethyl-4-phenyl-
CID 608429
3,5-Dimethyl-4-benzoyloxazole
CID 569246

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydropyridin-6-yl)-2-[(4-fluorophenyl)methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 4-(2,3-dihydropyridin-6-yl)-2-[(4-fluorophenyl)methyl]-5-methyl-1,3-oxazole (CID 123485159) is 4-(2,3-dihydropyridin-6-yl)-2-[(4-fluorophenyl)methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-(2,3-dihydropyridin-6-yl)-2-[(4-fluorophenyl)methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 4-(2,3-dihydropyridin-6-yl)-2-[(4-fluorophenyl)methyl]-5-methyl-1,3-oxazole is Cc1oc(Cc2ccc(F)cc2)nc1C1=NCCC=C1.
What is the InChIKey of 4-(2,3-dihydropyridin-6-yl)-2-[(4-fluorophenyl)methyl]-5-methyl-1,3-oxazole?
The InChIKey is YSUPKQRUNZZFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-11-16(14-4-2-3-9-18-14)19-15(20-11)10-12-5-7-13(17)8-6-12/h2,4-8H,3,9-10H2,1H3.
What are the key properties of 4-(2,3-dihydropyridin-6-yl)-2-[(4-fluorophenyl)methyl]-5-methyl-1,3-oxazole?
4-(2,3-dihydropyridin-6-yl)-2-[(4-fluorophenyl)methyl]-5-methyl-1,3-oxazole has a molecular weight of 270.31 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydropyridin-6-yl)-2-[(4-fluorophenyl)methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 123485159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).