(5-cyclopropyl-1,2-oxazol-4-yl)-[4-(trifluoromethyl)phenyl]methanone;thiophene

C18H14F3NO2S — CID 174281977

IUPAC(5-cyclopropyl-1,2-oxazol-4-yl)-[4-(trifluoromethyl)phenyl]methanone;thiophene
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1cnoc1C1CC1.c1ccsc1
InChIInChI=1S/C14H10F3NO2.C4H4S/c15-14(16,17)10-5-3-8(4-6-10)12(19)11-7-18-20-13(11)9-1-2-9;1-2-4-5-3-1/h3-7,9H,1-2H2;1-4H
InChIKeyUAJZFAPAINOFFZ-UHFFFAOYSA-N
MW365.38 g/mol
LogP5.55
Rot. Bonds3

About (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(trifluoromethyl)phenyl]methanone;thiophene

(5-cyclopropyl-1,2-oxazol-4-yl)-[4-(trifluoromethyl)phenyl]methanone;thiophene (PubChem CID 174281977) has the molecular formula C18H14F3NO2S and a molecular weight of 365.38 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(trifluoromethyl)phenyl]methanone;thiophene.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-4-yl)-[4-(trifluoromethyl)phenyl]methanone;thiophene
PubChem CID174281977
Molecular FormulaC18H14F3NO2S
Molecular Weight365.38 g/mol
Exact Mass365.07
IUPAC Name(5-cyclopropyl-1,2-oxazol-4-yl)-[4-(trifluoromethyl)phenyl]methanone;thiophene
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1cnoc1C1CC1.c1ccsc1
InChIInChI=1S/C14H10F3NO2.C4H4S/c15-14(16,17)10-5-3-8(4-6-10)12(19)11-7-18-20-13(11)9-1-2-9;1-2-4-5-3-1/h3-7,9H,1-2H2;1-4H
InChIKeyUAJZFAPAINOFFZ-UHFFFAOYSA-N
XLogP5.55
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.38
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(trifluoromethyl)phenyl]methanone;thiophene?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(trifluoromethyl)phenyl]methanone;thiophene (CID 174281977) is (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(trifluoromethyl)phenyl]methanone;thiophene.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(trifluoromethyl)phenyl]methanone;thiophene?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(trifluoromethyl)phenyl]methanone;thiophene is O=C(c1ccc(C(F)(F)F)cc1)c1cnoc1C1CC1.c1ccsc1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(trifluoromethyl)phenyl]methanone;thiophene?
The InChIKey is UAJZFAPAINOFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2.C4H4S/c15-14(16,17)10-5-3-8(4-6-10)12(19)11-7-18-20-13(11)9-1-2-9;1-2-4-5-3-1/h3-7,9H,1-2H2;1-4H.
What are the key properties of (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(trifluoromethyl)phenyl]methanone;thiophene?
(5-cyclopropyl-1,2-oxazol-4-yl)-[4-(trifluoromethyl)phenyl]methanone;thiophene has a molecular weight of 365.38 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(trifluoromethyl)phenyl]methanone;thiophene is sourced from PubChem (CID 174281977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).