[3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone

C19H20N4O3 — CID 2745727

IUPAC[3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1cc(-c2c(C(=O)N3CCOCC3)c(C)nn2-c2ccccc2)no1
InChIInChI=1S/C19H20N4O3/c1-13-12-16(21-26-13)18-17(19(24)22-8-10-25-11-9-22)14(2)20-23(18)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3
InChIKeyJCFFBJYSHVCXDB-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.62
Rot. Bonds3

About [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone

[3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 2745727) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
PubChem CID2745727
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name[3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1cc(-c2c(C(=O)N3CCOCC3)c(C)nn2-c2ccccc2)no1
InChIInChI=1S/C19H20N4O3/c1-13-12-16(21-26-13)18-17(19(24)22-8-10-25-11-9-22)14(2)20-23(18)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3
InChIKeyJCFFBJYSHVCXDB-UHFFFAOYSA-N
XLogP2.62
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone (CID 2745727) is [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone is Cc1cc(-c2c(C(=O)N3CCOCC3)c(C)nn2-c2ccccc2)no1.
What is the InChIKey of [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is JCFFBJYSHVCXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13-12-16(21-26-13)18-17(19(24)22-8-10-25-11-9-22)14(2)20-23(18)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3.
What are the key properties of [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
[3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 352.39 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 2745727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).