3-[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine

C20H23ClN4O2 — CID 138039320

IUPAC3-[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine
SMILESCc1nn(Cc2ncc(-c3ccc(Cl)cc3)o2)c(C)c1C1COCCN1C
InChIInChI=1S/C20H23ClN4O2/c1-13-20(17-12-26-9-8-24(17)3)14(2)25(23-13)11-19-22-10-18(27-19)15-4-6-16(21)7-5-15/h4-7,10,17H,8-9,11-12H2,1-3H3
InChIKeyXVGNDMHINBAUFC-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.86
Rot. Bonds4

About 3-[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine

3-[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine (PubChem CID 138039320) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 3-[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine.

Molecular Properties

Compound Name3-[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine
PubChem CID138039320
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name3-[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine
SMILESCc1nn(Cc2ncc(-c3ccc(Cl)cc3)o2)c(C)c1C1COCCN1C
InChIInChI=1S/C20H23ClN4O2/c1-13-20(17-12-26-9-8-24(17)3)14(2)25(23-13)11-19-22-10-18(27-19)15-4-6-16(21)7-5-15/h4-7,10,17H,8-9,11-12H2,1-3H3
InChIKeyXVGNDMHINBAUFC-UHFFFAOYSA-N
XLogP3.86
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine?
The IUPAC name of 3-[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine (CID 138039320) is 3-[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine.
What is the SMILES notation for 3-[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine?
The canonical SMILES for 3-[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine is Cc1nn(Cc2ncc(-c3ccc(Cl)cc3)o2)c(C)c1C1COCCN1C.
What is the InChIKey of 3-[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine?
The InChIKey is XVGNDMHINBAUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-13-20(17-12-26-9-8-24(17)3)14(2)25(23-13)11-19-22-10-18(27-19)15-4-6-16(21)7-5-15/h4-7,10,17H,8-9,11-12H2,1-3H3.
What are the key properties of 3-[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine?
3-[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine has a molecular weight of 386.88 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine is sourced from PubChem (CID 138039320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).