5-phenyl-2-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole

C21H22N2O — CID 91675190

IUPAC5-phenyl-2-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole
SMILESCCCN1CC=C(c2nc3cc(-c4ccccc4)ccc3o2)CC1
InChIInChI=1S/C21H22N2O/c1-2-12-23-13-10-17(11-14-23)21-22-19-15-18(8-9-20(19)24-21)16-6-4-3-5-7-16/h3-10,15H,2,11-14H2,1H3
InChIKeyFICMSNKNADJVFH-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.99
Rot. Bonds4

About 5-phenyl-2-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole

5-phenyl-2-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole (PubChem CID 91675190) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-phenyl-2-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-phenyl-2-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole
PubChem CID91675190
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name5-phenyl-2-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole
SMILESCCCN1CC=C(c2nc3cc(-c4ccccc4)ccc3o2)CC1
InChIInChI=1S/C21H22N2O/c1-2-12-23-13-10-17(11-14-23)21-22-19-15-18(8-9-20(19)24-21)16-6-4-3-5-7-16/h3-10,15H,2,11-14H2,1H3
InChIKeyFICMSNKNADJVFH-UHFFFAOYSA-N
XLogP4.99
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole?
The IUPAC name of 5-phenyl-2-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole (CID 91675190) is 5-phenyl-2-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole.
What is the SMILES notation for 5-phenyl-2-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole?
The canonical SMILES for 5-phenyl-2-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole is CCCN1CC=C(c2nc3cc(-c4ccccc4)ccc3o2)CC1.
What is the InChIKey of 5-phenyl-2-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole?
The InChIKey is FICMSNKNADJVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-2-12-23-13-10-17(11-14-23)21-22-19-15-18(8-9-20(19)24-21)16-6-4-3-5-7-16/h3-10,15H,2,11-14H2,1H3.
What are the key properties of 5-phenyl-2-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole?
5-phenyl-2-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole has a molecular weight of 318.42 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole is sourced from PubChem (CID 91675190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).