6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone

C14H11F3N2O3 — CID 86265118

IUPAC6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CCc2oncc2C1
InChIInChI=1S/C14H11F3N2O3/c15-14(16,17)21-11-3-1-9(2-4-11)13(20)19-6-5-12-10(8-19)7-18-22-12/h1-4,7H,5-6,8H2
InChIKeyGPGFALWTJJRCTD-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.77
Rot. Bonds2

About 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone

6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 86265118) has the molecular formula C14H11F3N2O3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID86265118
Molecular FormulaC14H11F3N2O3
Molecular Weight312.25 g/mol
Exact Mass312.07
IUPAC Name6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CCc2oncc2C1
InChIInChI=1S/C14H11F3N2O3/c15-14(16,17)21-11-3-1-9(2-4-11)13(20)19-6-5-12-10(8-19)7-18-22-12/h1-4,7H,5-6,8H2
InChIKeyGPGFALWTJJRCTD-UHFFFAOYSA-N
XLogP2.77
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(4-thiophen-2-ylphenyl)methanone
CID 91625048
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 69271185
(2-bromo-5-methoxyphenyl)-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 86265117
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 121190939
(3,4-dihydroxypyrrolidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 106671585
3,5-dichloro-N-[6-[4-(trifluoromethoxy)benzoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
CID 68678305
4-[4-(trifluoromethoxy)benzoyl]piperazine-2,6-dione
CID 66084388
(4-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 80701731
[2-(bromomethyl)morpholin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 116629329
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 47061060
pyrimidin-2-yl-[7-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 70974629
[4-(3-fluorobenzoyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 32522141

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone (CID 86265118) is 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone is O=C(c1ccc(OC(F)(F)F)cc1)N1CCc2oncc2C1.
What is the InChIKey of 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is GPGFALWTJJRCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O3/c15-14(16,17)21-11-3-1-9(2-4-11)13(20)19-6-5-12-10(8-19)7-18-22-12/h1-4,7H,5-6,8H2.
What are the key properties of 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone?
6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 312.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 86265118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).