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

C21H20ClN3O4 — CID 42630775

IUPAC[6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)N2CCOCC2)cn1
InChIInChI=1S/C21H20ClN3O4/c1-14-18(20(24-29-14)15-2-5-17(22)6-3-15)13-28-19-7-4-16(12-23-19)21(26)25-8-10-27-11-9-25/h2-7,12H,8-11,13H2,1H3
InChIKeyBVFJTUGLGFIJID-UHFFFAOYSA-N
MW413.86 g/mol
LogP3.75
Rot. Bonds5

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

[6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 42630775) has the molecular formula C21H20ClN3O4 and a molecular weight of 413.86 g/mol. Its IUPAC name is [6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID42630775
Molecular FormulaC21H20ClN3O4
Molecular Weight413.86 g/mol
Exact Mass413.11
IUPAC Name[6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)N2CCOCC2)cn1
InChIInChI=1S/C21H20ClN3O4/c1-14-18(20(24-29-14)15-2-5-17(22)6-3-15)13-28-19-7-4-16(12-23-19)21(26)25-8-10-27-11-9-25/h2-7,12H,8-11,13H2,1H3
InChIKeyBVFJTUGLGFIJID-UHFFFAOYSA-N
XLogP3.75
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.86
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone (CID 42630775) is [6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone is Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)N2CCOCC2)cn1.
What is the InChIKey of [6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is BVFJTUGLGFIJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4/c1-14-18(20(24-29-14)15-2-5-17(22)6-3-15)13-28-19-7-4-16(12-23-19)21(26)25-8-10-27-11-9-25/h2-7,12H,8-11,13H2,1H3.
What are the key properties of [6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone?
[6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 413.86 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42630775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).