4-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]phenol

C21H20N2O2 — CID 18125115

IUPAC4-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]phenol
SMILESOc1ccc(C2=CCN(Cc3ncc(-c4ccccc4)o3)CC2)cc1
InChIInChI=1S/C21H20N2O2/c24-19-8-6-16(7-9-19)17-10-12-23(13-11-17)15-21-22-14-20(25-21)18-4-2-1-3-5-18/h1-10,14,24H,11-13,15H2
InChIKeyLSEQBHRFOOROAN-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.34
Rot. Bonds4

About 4-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]phenol

4-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]phenol (PubChem CID 18125115) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]phenol.

Molecular Properties

Compound Name4-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]phenol
PubChem CID18125115
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name4-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]phenol
SMILESOc1ccc(C2=CCN(Cc3ncc(-c4ccccc4)o3)CC2)cc1
InChIInChI=1S/C21H20N2O2/c24-19-8-6-16(7-9-19)17-10-12-23(13-11-17)15-21-22-14-20(25-21)18-4-2-1-3-5-18/h1-10,14,24H,11-13,15H2
InChIKeyLSEQBHRFOOROAN-UHFFFAOYSA-N
XLogP4.34
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]phenol?
The IUPAC name of 4-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]phenol (CID 18125115) is 4-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]phenol.
What is the SMILES notation for 4-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]phenol?
The canonical SMILES for 4-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]phenol is Oc1ccc(C2=CCN(Cc3ncc(-c4ccccc4)o3)CC2)cc1.
What is the InChIKey of 4-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]phenol?
The InChIKey is LSEQBHRFOOROAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-19-8-6-16(7-9-19)17-10-12-23(13-11-17)15-21-22-14-20(25-21)18-4-2-1-3-5-18/h1-10,14,24H,11-13,15H2.
What are the key properties of 4-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]phenol?
4-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]phenol has a molecular weight of 332.40 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]phenol is sourced from PubChem (CID 18125115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).