(1-morpholin-4-yl-1-oxopropan-2-yl) 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate

C19H18F3NO5 — CID 42893729

IUPAC(1-morpholin-4-yl-1-oxopropan-2-yl) 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
SMILESCC(OC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)N1CCOCC1
InChIInChI=1S/C19H18F3NO5/c1-12(17(24)23-7-9-26-10-8-23)27-18(25)16-6-5-15(28-16)13-3-2-4-14(11-13)19(20,21)22/h2-6,11-12H,7-10H2,1H3
InChIKeyKMUXDEPHTHSGEY-UHFFFAOYSA-N
MW397.35 g/mol
LogP3.37
Rot. Bonds4

About (1-morpholin-4-yl-1-oxopropan-2-yl) 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate

(1-morpholin-4-yl-1-oxopropan-2-yl) 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate (PubChem CID 42893729) has the molecular formula C19H18F3NO5 and a molecular weight of 397.35 g/mol. Its IUPAC name is (1-morpholin-4-yl-1-oxopropan-2-yl) 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate.

Molecular Properties

Compound Name(1-morpholin-4-yl-1-oxopropan-2-yl) 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
PubChem CID42893729
Molecular FormulaC19H18F3NO5
Molecular Weight397.35 g/mol
Exact Mass397.11
IUPAC Name(1-morpholin-4-yl-1-oxopropan-2-yl) 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
SMILESCC(OC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)N1CCOCC1
InChIInChI=1S/C19H18F3NO5/c1-12(17(24)23-7-9-26-10-8-23)27-18(25)16-6-5-15(28-16)13-3-2-4-14(11-13)19(20,21)22/h2-6,11-12H,7-10H2,1H3
InChIKeyKMUXDEPHTHSGEY-UHFFFAOYSA-N
XLogP3.37
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 8942658
[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 42976953
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 7755225
oxolan-3-yl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 86897204
(1-morpholin-4-yl-1-oxopropan-2-yl) 3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate
CID 3433708
[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] (2S)-3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate
CID 41114940
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 31836704
ethyl 1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-4-carboxylate
CID 35512333
(2,4-dimethoxyphenyl)-[4-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperazin-1-yl]methanone
CID 55904315
[4-(2-methylsulfonylethyl)piperazin-1-yl]-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanone
CID 56534055
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 32584893
(1-morpholin-4-yl-1-oxopropan-2-yl) 3-(methylsulfinylmethyl)benzoate
CID 55456096

Frequently Asked Questions

What is the IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate?
The IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate (CID 42893729) is (1-morpholin-4-yl-1-oxopropan-2-yl) 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate.
What is the SMILES notation for (1-morpholin-4-yl-1-oxopropan-2-yl) 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate?
The canonical SMILES for (1-morpholin-4-yl-1-oxopropan-2-yl) 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate is CC(OC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)N1CCOCC1.
What is the InChIKey of (1-morpholin-4-yl-1-oxopropan-2-yl) 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate?
The InChIKey is KMUXDEPHTHSGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO5/c1-12(17(24)23-7-9-26-10-8-23)27-18(25)16-6-5-15(28-16)13-3-2-4-14(11-13)19(20,21)22/h2-6,11-12H,7-10H2,1H3.
What are the key properties of (1-morpholin-4-yl-1-oxopropan-2-yl) 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate?
(1-morpholin-4-yl-1-oxopropan-2-yl) 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate has a molecular weight of 397.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-morpholin-4-yl-1-oxopropan-2-yl) 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate is sourced from PubChem (CID 42893729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).