(3-benzylazetidin-1-yl)-[5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]methanone

C19H16ClN3O2 — CID 146229711

IUPAC(3-benzylazetidin-1-yl)-[5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccc(Cl)cn2)on1)N1CC(Cc2ccccc2)C1
InChIInChI=1S/C19H16ClN3O2/c20-15-6-7-16(21-10-15)18-9-17(22-25-18)19(24)23-11-14(12-23)8-13-4-2-1-3-5-13/h1-7,9-10,14H,8,11-12H2
InChIKeyBGPBEIOUYRKSTQ-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.70
Rot. Bonds4

About (3-benzylazetidin-1-yl)-[5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]methanone

(3-benzylazetidin-1-yl)-[5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]methanone (PubChem CID 146229711) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is (3-benzylazetidin-1-yl)-[5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(3-benzylazetidin-1-yl)-[5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]methanone
PubChem CID146229711
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name(3-benzylazetidin-1-yl)-[5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccc(Cl)cn2)on1)N1CC(Cc2ccccc2)C1
InChIInChI=1S/C19H16ClN3O2/c20-15-6-7-16(21-10-15)18-9-17(22-25-18)19(24)23-11-14(12-23)8-13-4-2-1-3-5-13/h1-7,9-10,14H,8,11-12H2
InChIKeyBGPBEIOUYRKSTQ-UHFFFAOYSA-N
XLogP3.70
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-benzylazetidin-1-yl)-[5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of (3-benzylazetidin-1-yl)-[5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]methanone (CID 146229711) is (3-benzylazetidin-1-yl)-[5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (3-benzylazetidin-1-yl)-[5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (3-benzylazetidin-1-yl)-[5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]methanone is O=C(c1cc(-c2ccc(Cl)cn2)on1)N1CC(Cc2ccccc2)C1.
What is the InChIKey of (3-benzylazetidin-1-yl)-[5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is BGPBEIOUYRKSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-15-6-7-16(21-10-15)18-9-17(22-25-18)19(24)23-11-14(12-23)8-13-4-2-1-3-5-13/h1-7,9-10,14H,8,11-12H2.
What are the key properties of (3-benzylazetidin-1-yl)-[5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]methanone?
(3-benzylazetidin-1-yl)-[5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 353.81 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylazetidin-1-yl)-[5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 146229711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).