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

C25H21FN2O — CID 91680147

IUPAC2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-phenyl-1,3-benzoxazole
SMILESFc1ccccc1CN1CC=C(c2nc3cc(-c4ccccc4)ccc3o2)CC1
InChIInChI=1S/C25H21FN2O/c26-22-9-5-4-8-21(22)17-28-14-12-19(13-15-28)25-27-23-16-20(10-11-24(23)29-25)18-6-2-1-3-7-18/h1-12,16H,13-15,17H2
InChIKeyJSTGCNRSAPZHOA-UHFFFAOYSA-N
MW384.45 g/mol
LogP5.92
Rot. Bonds4

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

2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-phenyl-1,3-benzoxazole (PubChem CID 91680147) has the molecular formula C25H21FN2O and a molecular weight of 384.45 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-phenyl-1,3-benzoxazole
PubChem CID91680147
Molecular FormulaC25H21FN2O
Molecular Weight384.45 g/mol
Exact Mass384.16
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-phenyl-1,3-benzoxazole
SMILESFc1ccccc1CN1CC=C(c2nc3cc(-c4ccccc4)ccc3o2)CC1
InChIInChI=1S/C25H21FN2O/c26-22-9-5-4-8-21(22)17-28-14-12-19(13-15-28)25-27-23-16-20(10-11-24(23)29-25)18-6-2-1-3-7-18/h1-12,16H,13-15,17H2
InChIKeyJSTGCNRSAPZHOA-UHFFFAOYSA-N
XLogP5.92
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.45
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5,6-dimethyl-1,3-benzoxazole
CID 91680151
5-phenyl-2-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole
CID 91675190
2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole
CID 95909925
2-[1-[(2-chloro-4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5,6-dimethyl-1,3-benzoxazole
CID 91680141
2-[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5,6-dimethyl-1,3-benzoxazole
CID 91680169
2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole
CID 91675240
2-(4-bromo-2-fluorophenyl)-5-phenyl-1,3-benzoxazole
CID 95910362
5-phenyl-2-piperidin-1-yl-1,3-benzoxazole
CID 102300837
2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-4,5-diphenyl-1,3-oxazole
CID 126494910
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole
CID 23269767
2-[4-(bromomethyl)phenyl]-5-phenyl-1,3-benzoxazole
CID 50850862
2-(3,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole
CID 91678574

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-phenyl-1,3-benzoxazole?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-phenyl-1,3-benzoxazole (CID 91680147) is 2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-phenyl-1,3-benzoxazole.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-phenyl-1,3-benzoxazole?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-phenyl-1,3-benzoxazole is Fc1ccccc1CN1CC=C(c2nc3cc(-c4ccccc4)ccc3o2)CC1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-phenyl-1,3-benzoxazole?
The InChIKey is JSTGCNRSAPZHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O/c26-22-9-5-4-8-21(22)17-28-14-12-19(13-15-28)25-27-23-16-20(10-11-24(23)29-25)18-6-2-1-3-7-18/h1-12,16H,13-15,17H2.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-phenyl-1,3-benzoxazole?
2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-phenyl-1,3-benzoxazole has a molecular weight of 384.45 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-phenyl-1,3-benzoxazole is sourced from PubChem (CID 91680147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).