[5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone

C16H18ClN3O4 — CID 24817746

IUPAC[5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)C1
InChIInChI=1S/C16H18ClN3O4/c1-22-9-11-2-3-20(8-11)16(21)15-5-14(24-19-15)10-23-13-4-12(17)6-18-7-13/h4-7,11H,2-3,8-10H2,1H3
InChIKeySONXXGGKDFTUBD-UHFFFAOYSA-N
MW351.79 g/mol
LogP2.41
Rot. Bonds6

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

[5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 24817746) has the molecular formula C16H18ClN3O4 and a molecular weight of 351.79 g/mol. Its IUPAC name is [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID24817746
Molecular FormulaC16H18ClN3O4
Molecular Weight351.79 g/mol
Exact Mass351.10
IUPAC Name[5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)C1
InChIInChI=1S/C16H18ClN3O4/c1-22-9-11-2-3-20(8-11)16(21)15-5-14(24-19-15)10-23-13-4-12(17)6-18-7-13/h4-7,11H,2-3,8-10H2,1H3
InChIKeySONXXGGKDFTUBD-UHFFFAOYSA-N
XLogP2.41
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 24817746) is [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone is COCC1CCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)C1.
What is the InChIKey of [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is SONXXGGKDFTUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4/c1-22-9-11-2-3-20(8-11)16(21)15-5-14(24-19-15)10-23-13-4-12(17)6-18-7-13/h4-7,11H,2-3,8-10H2,1H3.
What are the key properties of [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
[5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 351.79 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 24817746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).