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

C16H19F3N4O4 — CID 136589681

IUPAC[3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1nn(C)c(OCC(F)(F)F)c1-c1noc(C)c1C(=O)N1CCOCC1
InChIInChI=1S/C16H19F3N4O4/c1-9-11(15(22(3)20-9)26-8-16(17,18)19)13-12(10(2)27-21-13)14(24)23-4-6-25-7-5-23/h4-8H2,1-3H3
InChIKeyGZQTXNQWMLJRDE-UHFFFAOYSA-N
MW388.35 g/mol
LogP2.11
Rot. Bonds4

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

[3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 136589681) has the molecular formula C16H19F3N4O4 and a molecular weight of 388.35 g/mol. Its IUPAC name is [3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone
PubChem CID136589681
Molecular FormulaC16H19F3N4O4
Molecular Weight388.35 g/mol
Exact Mass388.14
IUPAC Name[3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1nn(C)c(OCC(F)(F)F)c1-c1noc(C)c1C(=O)N1CCOCC1
InChIInChI=1S/C16H19F3N4O4/c1-9-11(15(22(3)20-9)26-8-16(17,18)19)13-12(10(2)27-21-13)14(24)23-4-6-25-7-5-23/h4-8H2,1-3H3
InChIKeyGZQTXNQWMLJRDE-UHFFFAOYSA-N
XLogP2.11
TPSA82.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone (CID 136589681) is [3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone is Cc1nn(C)c(OCC(F)(F)F)c1-c1noc(C)c1C(=O)N1CCOCC1.
What is the InChIKey of [3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is GZQTXNQWMLJRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O4/c1-9-11(15(22(3)20-9)26-8-16(17,18)19)13-12(10(2)27-21-13)14(24)23-4-6-25-7-5-23/h4-8H2,1-3H3.
What are the key properties of [3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone?
[3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 388.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 136589681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).