(2R)-2-propan-2-yloxy-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one

C19H21F3N2O3 — CID 95218876

IUPAC(2R)-2-propan-2-yloxy-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one
SMILESCC(C)O[C@H](C)C(=O)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1
InChIInChI=1S/C19H21F3N2O3/c1-11(2)26-12(3)18(25)24-9-8-16-15(10-24)17(23-27-16)13-4-6-14(7-5-13)19(20,21)22/h4-7,11-12H,8-10H2,1-3H3/t12-/m1/s1
InChIKeyOYLPQIIHYGSSPT-GFCCVEGCSA-N
MW382.38 g/mol
LogP4.06
Rot. Bonds4

About (2R)-2-propan-2-yloxy-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one

(2R)-2-propan-2-yloxy-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one (PubChem CID 95218876) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is (2R)-2-propan-2-yloxy-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-propan-2-yloxy-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one
PubChem CID95218876
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Name(2R)-2-propan-2-yloxy-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one
SMILESCC(C)O[C@H](C)C(=O)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1
InChIInChI=1S/C19H21F3N2O3/c1-11(2)26-12(3)18(25)24-9-8-16-15(10-24)17(23-27-16)13-4-6-14(7-5-13)19(20,21)22/h4-7,11-12H,8-10H2,1-3H3/t12-/m1/s1
InChIKeyOYLPQIIHYGSSPT-GFCCVEGCSA-N
XLogP4.06
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-2-propan-2-yloxy-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-propan-2-yloxy-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one?
The IUPAC name of (2R)-2-propan-2-yloxy-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one (CID 95218876) is (2R)-2-propan-2-yloxy-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one.
What is the SMILES notation for (2R)-2-propan-2-yloxy-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one?
The canonical SMILES for (2R)-2-propan-2-yloxy-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one is CC(C)O[C@H](C)C(=O)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1.
What is the InChIKey of (2R)-2-propan-2-yloxy-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one?
The InChIKey is OYLPQIIHYGSSPT-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-11(2)26-12(3)18(25)24-9-8-16-15(10-24)17(23-27-16)13-4-6-14(7-5-13)19(20,21)22/h4-7,11-12H,8-10H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-2-propan-2-yloxy-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one?
(2R)-2-propan-2-yloxy-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one has a molecular weight of 382.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-propan-2-yloxy-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 95218876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).