4-[2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl]morpholine

C18H24N4O3 — CID 71462553

IUPAC4-[2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl]morpholine
SMILESc1ncc(-c2cc(CCN3CCOCC3)no2)cc1OC[C@@H]1CCN1
InChIInChI=1S/C18H24N4O3/c1-3-20-16(1)13-24-17-9-14(11-19-12-17)18-10-15(21-25-18)2-4-22-5-7-23-8-6-22/h9-12,16,20H,1-8,13H2/t16-/m0/s1
InChIKeyBSDAIAUGUUFZOR-INIZCTEOSA-N
MW344.42 g/mol
LogP1.35
Rot. Bonds7

About 4-[2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl]morpholine

4-[2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl]morpholine (PubChem CID 71462553) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl]morpholine
PubChem CID71462553
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name4-[2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl]morpholine
SMILESc1ncc(-c2cc(CCN3CCOCC3)no2)cc1OC[C@@H]1CCN1
InChIInChI=1S/C18H24N4O3/c1-3-20-16(1)13-24-17-9-14(11-19-12-17)18-10-15(21-25-18)2-4-22-5-7-23-8-6-22/h9-12,16,20H,1-8,13H2/t16-/m0/s1
InChIKeyBSDAIAUGUUFZOR-INIZCTEOSA-N
XLogP1.35
TPSA72.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl]morpholine (CID 71462553) is 4-[2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl]morpholine is c1ncc(-c2cc(CCN3CCOCC3)no2)cc1OC[C@@H]1CCN1.
What is the InChIKey of 4-[2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl]morpholine?
The InChIKey is BSDAIAUGUUFZOR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-3-20-16(1)13-24-17-9-14(11-19-12-17)18-10-15(21-25-18)2-4-22-5-7-23-8-6-22/h9-12,16,20H,1-8,13H2/t16-/m0/s1.
What are the key properties of 4-[2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl]morpholine?
4-[2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl]morpholine has a molecular weight of 344.42 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl]morpholine is sourced from PubChem (CID 71462553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).