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

C18H17N3O — CID 153356069

IUPAC3-[(3-phenylazetidin-1-yl)methyl]-5-pyridin-3-yl-1,2-oxazole
SMILESc1ccc(C2CN(Cc3cc(-c4cccnc4)on3)C2)cc1
InChIInChI=1S/C18H17N3O/c1-2-5-14(6-3-1)16-11-21(12-16)13-17-9-18(22-20-17)15-7-4-8-19-10-15/h1-10,16H,11-13H2
InChIKeyUDGRLJGVPGVBNE-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.34
Rot. Bonds4

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

3-[(3-phenylazetidin-1-yl)methyl]-5-pyridin-3-yl-1,2-oxazole (PubChem CID 153356069) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[(3-phenylazetidin-1-yl)methyl]-5-pyridin-3-yl-1,2-oxazole.

Molecular Properties

Compound Name3-[(3-phenylazetidin-1-yl)methyl]-5-pyridin-3-yl-1,2-oxazole
PubChem CID153356069
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name3-[(3-phenylazetidin-1-yl)methyl]-5-pyridin-3-yl-1,2-oxazole
SMILESc1ccc(C2CN(Cc3cc(-c4cccnc4)on3)C2)cc1
InChIInChI=1S/C18H17N3O/c1-2-5-14(6-3-1)16-11-21(12-16)13-17-9-18(22-20-17)15-7-4-8-19-10-15/h1-10,16H,11-13H2
InChIKeyUDGRLJGVPGVBNE-UHFFFAOYSA-N
XLogP3.34
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-phenylazetidin-1-yl)methyl]-5-pyridin-3-yl-1,2-oxazole?
The IUPAC name of 3-[(3-phenylazetidin-1-yl)methyl]-5-pyridin-3-yl-1,2-oxazole (CID 153356069) is 3-[(3-phenylazetidin-1-yl)methyl]-5-pyridin-3-yl-1,2-oxazole.
What is the SMILES notation for 3-[(3-phenylazetidin-1-yl)methyl]-5-pyridin-3-yl-1,2-oxazole?
The canonical SMILES for 3-[(3-phenylazetidin-1-yl)methyl]-5-pyridin-3-yl-1,2-oxazole is c1ccc(C2CN(Cc3cc(-c4cccnc4)on3)C2)cc1.
What is the InChIKey of 3-[(3-phenylazetidin-1-yl)methyl]-5-pyridin-3-yl-1,2-oxazole?
The InChIKey is UDGRLJGVPGVBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-2-5-14(6-3-1)16-11-21(12-16)13-17-9-18(22-20-17)15-7-4-8-19-10-15/h1-10,16H,11-13H2.
What are the key properties of 3-[(3-phenylazetidin-1-yl)methyl]-5-pyridin-3-yl-1,2-oxazole?
3-[(3-phenylazetidin-1-yl)methyl]-5-pyridin-3-yl-1,2-oxazole has a molecular weight of 291.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-phenylazetidin-1-yl)methyl]-5-pyridin-3-yl-1,2-oxazole is sourced from PubChem (CID 153356069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).