5-propan-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

C19H22F3N3O2 — CID 166388508

IUPAC5-propan-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCC(C)N1CCc2onc(C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3)c2C1
InChIInChI=1S/C19H22F3N3O2/c1-11(2)25-8-7-16-15(10-25)17(24-27-16)18(26)23-12(3)13-5-4-6-14(9-13)19(20,21)22/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,23,26)/t12-/m1/s1
InChIKeySVHGVBJKDUZDAE-GFCCVEGCSA-N
MW381.40 g/mol
LogP3.95
Rot. Bonds4

About 5-propan-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

5-propan-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 166388508) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 5-propan-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
PubChem CID166388508
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name5-propan-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCC(C)N1CCc2onc(C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3)c2C1
InChIInChI=1S/C19H22F3N3O2/c1-11(2)25-8-7-16-15(10-25)17(24-27-16)18(26)23-12(3)13-5-4-6-14(9-13)19(20,21)22/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,23,26)/t12-/m1/s1
InChIKeySVHGVBJKDUZDAE-GFCCVEGCSA-N
XLogP3.95
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of 5-propan-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (CID 166388508) is 5-propan-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is CC(C)N1CCc2onc(C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3)c2C1.
What is the InChIKey of 5-propan-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is SVHGVBJKDUZDAE-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-11(2)25-8-7-16-15(10-25)17(24-27-16)18(26)23-12(3)13-5-4-6-14(9-13)19(20,21)22/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,23,26)/t12-/m1/s1.
What are the key properties of 5-propan-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
5-propan-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 166388508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).