3-[(4-ethenylphenyl)methyl]-5-pyridin-3-yl-1,2-oxazole

C17H14N2O — CID 175054569

IUPAC3-[(4-ethenylphenyl)methyl]-5-pyridin-3-yl-1,2-oxazole
SMILESC=Cc1ccc(Cc2cc(-c3cccnc3)on2)cc1
InChIInChI=1S/C17H14N2O/c1-2-13-5-7-14(8-6-13)10-16-11-17(20-19-16)15-4-3-9-18-12-15/h2-9,11-12H,1,10H2
InChIKeyLKLMLQMWTMRAGQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.97
Rot. Bonds4

About 3-[(4-ethenylphenyl)methyl]-5-pyridin-3-yl-1,2-oxazole

3-[(4-ethenylphenyl)methyl]-5-pyridin-3-yl-1,2-oxazole (PubChem CID 175054569) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[(4-ethenylphenyl)methyl]-5-pyridin-3-yl-1,2-oxazole.

Molecular Properties

Compound Name3-[(4-ethenylphenyl)methyl]-5-pyridin-3-yl-1,2-oxazole
PubChem CID175054569
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name3-[(4-ethenylphenyl)methyl]-5-pyridin-3-yl-1,2-oxazole
SMILESC=Cc1ccc(Cc2cc(-c3cccnc3)on2)cc1
InChIInChI=1S/C17H14N2O/c1-2-13-5-7-14(8-6-13)10-16-11-17(20-19-16)15-4-3-9-18-12-15/h2-9,11-12H,1,10H2
InChIKeyLKLMLQMWTMRAGQ-UHFFFAOYSA-N
XLogP3.97
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[6-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]-5-pyridin-3-yl-1,2-oxazole
CID 175811539
3,5-dipyridin-3-yl-1,2-oxazole
CID 14593332
3-[(3-phenylazetidin-1-yl)methyl]-5-pyridin-3-yl-1,2-oxazole
CID 153356069
1-[2,3-dioxo-4-[(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]pyrazin-1-yl]cyclopropane-1-carbonitrile
CID 166103340
1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene
CID 163649628
N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986105
N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 47052934
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
3-(4-tert-butylphenyl)-5-pyridin-3-yl-1,2-oxazole
CID 99964771
3-[4-(4-but-3-enylphenyl)phenyl]pyridine
CID 142377075
N-methyl-5-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46492404
3-[3-[(4-phenoxyphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 67130843

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethenylphenyl)methyl]-5-pyridin-3-yl-1,2-oxazole?
The IUPAC name of 3-[(4-ethenylphenyl)methyl]-5-pyridin-3-yl-1,2-oxazole (CID 175054569) is 3-[(4-ethenylphenyl)methyl]-5-pyridin-3-yl-1,2-oxazole.
What is the SMILES notation for 3-[(4-ethenylphenyl)methyl]-5-pyridin-3-yl-1,2-oxazole?
The canonical SMILES for 3-[(4-ethenylphenyl)methyl]-5-pyridin-3-yl-1,2-oxazole is C=Cc1ccc(Cc2cc(-c3cccnc3)on2)cc1.
What is the InChIKey of 3-[(4-ethenylphenyl)methyl]-5-pyridin-3-yl-1,2-oxazole?
The InChIKey is LKLMLQMWTMRAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-2-13-5-7-14(8-6-13)10-16-11-17(20-19-16)15-4-3-9-18-12-15/h2-9,11-12H,1,10H2.
What are the key properties of 3-[(4-ethenylphenyl)methyl]-5-pyridin-3-yl-1,2-oxazole?
3-[(4-ethenylphenyl)methyl]-5-pyridin-3-yl-1,2-oxazole has a molecular weight of 262.31 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethenylphenyl)methyl]-5-pyridin-3-yl-1,2-oxazole is sourced from PubChem (CID 175054569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).