N-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-amine

C14H10F3N3O — CID 95803520

IUPACN-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-amine
SMILESFC(F)(F)c1cccc(CNc2nc3ncccc3o2)c1
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)10-4-1-3-9(7-10)8-19-13-20-12-11(21-13)5-2-6-18-12/h1-7H,8H2,(H,18,19,20)
InChIKeyXDEFXZXRINLZAC-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.85
Rot. Bonds3

About N-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-amine

N-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-amine (PubChem CID 95803520) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-amine
PubChem CID95803520
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC NameN-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-amine
SMILESFC(F)(F)c1cccc(CNc2nc3ncccc3o2)c1
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)10-4-1-3-9(7-10)8-19-13-20-12-11(21-13)5-2-6-18-12/h1-7H,8H2,(H,18,19,20)
InChIKeyXDEFXZXRINLZAC-UHFFFAOYSA-N
XLogP3.85
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-amine
CID 75358121
N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372312
5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 63871875
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
2-N-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80771252
N-[(3-fluorophenyl)methyl]-1,3-benzoxazol-2-amine
CID 47170554
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
2-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 46908391
3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carbothioamide
CID 62684775
2-chloro-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 65485316
4-iodo-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28878737
6-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidine-4-carbonitrile
CID 107543356

Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-amine?
The IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-amine (CID 95803520) is N-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-amine.
What is the SMILES notation for N-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-amine?
The canonical SMILES for N-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-amine is FC(F)(F)c1cccc(CNc2nc3ncccc3o2)c1.
What is the InChIKey of N-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-amine?
The InChIKey is XDEFXZXRINLZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c15-14(16,17)10-4-1-3-9(7-10)8-19-13-20-12-11(21-13)5-2-6-18-12/h1-7H,8H2,(H,18,19,20).
What are the key properties of N-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-amine?
N-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-amine has a molecular weight of 293.25 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 95803520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).