4-[2-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-4-pyridinyl]morpholine

C15H18ClN3O2S — CID 58110403

IUPAC4-[2-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-4-pyridinyl]morpholine
SMILESCc1nc(SCc2cc(N3CCOCC3)cc(Cl)n2)oc1C
InChIInChI=1S/C15H18ClN3O2S/c1-10-11(2)21-15(17-10)22-9-12-7-13(8-14(16)18-12)19-3-5-20-6-4-19/h7-8H,3-6,9H2,1-2H3
InChIKeyPHUKQUKUEWYVTJ-UHFFFAOYSA-N
MW339.85 g/mol
LogP3.47
Rot. Bonds4

About 4-[2-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-4-pyridinyl]morpholine

4-[2-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-4-pyridinyl]morpholine (PubChem CID 58110403) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 4-[2-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-4-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-4-pyridinyl]morpholine
PubChem CID58110403
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name4-[2-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-4-pyridinyl]morpholine
SMILESCc1nc(SCc2cc(N3CCOCC3)cc(Cl)n2)oc1C
InChIInChI=1S/C15H18ClN3O2S/c1-10-11(2)21-15(17-10)22-9-12-7-13(8-14(16)18-12)19-3-5-20-6-4-19/h7-8H,3-6,9H2,1-2H3
InChIKeyPHUKQUKUEWYVTJ-UHFFFAOYSA-N
XLogP3.47
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-4-pyridinyl]morpholine?
The IUPAC name of 4-[2-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-4-pyridinyl]morpholine (CID 58110403) is 4-[2-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-4-pyridinyl]morpholine.
What is the SMILES notation for 4-[2-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-4-pyridinyl]morpholine?
The canonical SMILES for 4-[2-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-4-pyridinyl]morpholine is Cc1nc(SCc2cc(N3CCOCC3)cc(Cl)n2)oc1C.
What is the InChIKey of 4-[2-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-4-pyridinyl]morpholine?
The InChIKey is PHUKQUKUEWYVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-10-11(2)21-15(17-10)22-9-12-7-13(8-14(16)18-12)19-3-5-20-6-4-19/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 4-[2-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-4-pyridinyl]morpholine?
4-[2-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-4-pyridinyl]morpholine has a molecular weight of 339.85 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-4-pyridinyl]morpholine is sourced from PubChem (CID 58110403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).