(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone

C20H16F3N3O2 — CID 170510904

IUPAC(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1cccnc1C(F)(F)F)N1CCc2oc(Cc3ccccc3)nc2C1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)18-14(7-4-9-24-18)19(27)26-10-8-16-15(12-26)25-17(28-16)11-13-5-2-1-3-6-13/h1-7,9H,8,10-12H2
InChIKeyWXAFGRWBLYUBCX-UHFFFAOYSA-N
MW387.36 g/mol
LogP3.88
Rot. Bonds3

About (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone

(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 170510904) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID170510904
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1cccnc1C(F)(F)F)N1CCc2oc(Cc3ccccc3)nc2C1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)18-14(7-4-9-24-18)19(27)26-10-8-16-15(12-26)25-17(28-16)11-13-5-2-1-3-6-13/h1-7,9H,8,10-12H2
InChIKeyWXAFGRWBLYUBCX-UHFFFAOYSA-N
XLogP3.88
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methylamino)-3-pyridinyl]-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170512763
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(hydroxymethyl)phenyl]methanone
CID 171907629
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 169413708
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(difluoromethoxy)phenyl]methanone
CID 169415595
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
CID 169411306
1-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-(1,2-oxazol-5-yl)propan-1-one
CID 170511763
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(5-methyl-3-pyridinyl)methanone
CID 169414628
2-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,6-dimethylpyridin-4-one
CID 170507208
methyl 3-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-5-methoxybenzoate
CID 170508054
[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 169420646
3-(benzenesulfonyl)-1-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 169416689
2-benzyl-5-methylsulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 169416004

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone (CID 170510904) is (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1cccnc1C(F)(F)F)N1CCc2oc(Cc3ccccc3)nc2C1.
What is the InChIKey of (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is WXAFGRWBLYUBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c21-20(22,23)18-14(7-4-9-24-18)19(27)26-10-8-16-15(12-26)25-17(28-16)11-13-5-2-1-3-6-13/h1-7,9H,8,10-12H2.
What are the key properties of (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone?
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 387.36 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 170510904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).