[6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-thiomorpholin-4-ylmethanone

C20H20N4O3S — CID 42630169

IUPAC[6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-thiomorpholin-4-ylmethanone
SMILESCc1onc(-c2ccccn2)c1COc1ccc(C(=O)N2CCSCC2)cn1
InChIInChI=1S/C20H20N4O3S/c1-14-16(19(23-27-14)17-4-2-3-7-21-17)13-26-18-6-5-15(12-22-18)20(25)24-8-10-28-11-9-24/h2-7,12H,8-11,13H2,1H3
InChIKeyLGPNUUFCZUGJOR-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.21
Rot. Bonds5

About [6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-thiomorpholin-4-ylmethanone

[6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-thiomorpholin-4-ylmethanone (PubChem CID 42630169) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is [6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-thiomorpholin-4-ylmethanone
PubChem CID42630169
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name[6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-thiomorpholin-4-ylmethanone
SMILESCc1onc(-c2ccccn2)c1COc1ccc(C(=O)N2CCSCC2)cn1
InChIInChI=1S/C20H20N4O3S/c1-14-16(19(23-27-14)17-4-2-3-7-21-17)13-26-18-6-5-15(12-22-18)20(25)24-8-10-28-11-9-24/h2-7,12H,8-11,13H2,1H3
InChIKeyLGPNUUFCZUGJOR-UHFFFAOYSA-N
XLogP3.21
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-thiomorpholin-4-ylmethanone (CID 42630169) is [6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-thiomorpholin-4-ylmethanone is Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)N2CCSCC2)cn1.
What is the InChIKey of [6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-thiomorpholin-4-ylmethanone?
The InChIKey is LGPNUUFCZUGJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-14-16(19(23-27-14)17-4-2-3-7-21-17)13-26-18-6-5-15(12-22-18)20(25)24-8-10-28-11-9-24/h2-7,12H,8-11,13H2,1H3.
What are the key properties of [6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-thiomorpholin-4-ylmethanone?
[6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-thiomorpholin-4-ylmethanone has a molecular weight of 396.47 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 42630169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).