N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide

C16H19F3N2O3 — CID 3876974

IUPACN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1CCCO1
InChIInChI=1S/C16H19F3N2O3/c17-16(18,19)11-3-4-13(21-5-8-23-9-6-21)12(10-11)20-15(22)14-2-1-7-24-14/h3-4,10,14H,1-2,5-9H2,(H,20,22)
InChIKeyMXEXVVOXGOYEAN-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.66
Rot. Bonds3

About N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide (PubChem CID 3876974) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide
PubChem CID3876974
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1CCCO1
InChIInChI=1S/C16H19F3N2O3/c17-16(18,19)11-3-4-13(21-5-8-23-9-6-21)12(10-11)20-15(22)14-2-1-7-24-14/h3-4,10,14H,1-2,5-9H2,(H,20,22)
InChIKeyMXEXVVOXGOYEAN-UHFFFAOYSA-N
XLogP2.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide (CID 3876974) is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1CCCO1.
What is the InChIKey of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The InChIKey is MXEXVVOXGOYEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c17-16(18,19)11-3-4-13(21-5-8-23-9-6-21)12(10-11)20-15(22)14-2-1-7-24-14/h3-4,10,14H,1-2,5-9H2,(H,20,22).
What are the key properties of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide has a molecular weight of 344.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 3876974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).