(2S)-1-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-amine

C16H19F3N4O2 — CID 171779100

IUPAC(2S)-1-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-amine
SMILESC[C@H](N)COCc1nc2c(o1)CN(c1ccc(C(F)(F)F)cn1)CC2
InChIInChI=1S/C16H19F3N4O2/c1-10(20)8-24-9-15-22-12-4-5-23(7-13(12)25-15)14-3-2-11(6-21-14)16(17,18)19/h2-3,6,10H,4-5,7-9,20H2,1H3/t10-/m0/s1
InChIKeyBOITWNBVJZCXSO-JTQLQIEISA-N
MW356.35 g/mol
LogP2.51
Rot. Bonds5

About (2S)-1-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-amine

(2S)-1-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-amine (PubChem CID 171779100) has the molecular formula C16H19F3N4O2 and a molecular weight of 356.35 g/mol. Its IUPAC name is (2S)-1-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-amine
PubChem CID171779100
Molecular FormulaC16H19F3N4O2
Molecular Weight356.35 g/mol
Exact Mass356.15
IUPAC Name(2S)-1-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-amine
SMILESC[C@H](N)COCc1nc2c(o1)CN(c1ccc(C(F)(F)F)cn1)CC2
InChIInChI=1S/C16H19F3N4O2/c1-10(20)8-24-9-15-22-12-4-5-23(7-13(12)25-15)14-3-2-11(6-21-14)16(17,18)19/h2-3,6,10H,4-5,7-9,20H2,1H3/t10-/m0/s1
InChIKeyBOITWNBVJZCXSO-JTQLQIEISA-N
XLogP2.51
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-amine with MolForge

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Related Compounds

tert-butyl-[1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-yl]carbamic acid
CID 175564612
6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121183263
N-(cyclohexylmethyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 59346447
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
4-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282533
2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroisoindole
CID 171327222
3-methyl-5-[(1S)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 37139535
N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62592662
1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride
CID 91623900
4-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pentan-1-one
CID 78772282
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-amine?
The IUPAC name of (2S)-1-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-amine (CID 171779100) is (2S)-1-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-amine.
What is the SMILES notation for (2S)-1-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-amine?
The canonical SMILES for (2S)-1-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-amine is C[C@H](N)COCc1nc2c(o1)CN(c1ccc(C(F)(F)F)cn1)CC2.
What is the InChIKey of (2S)-1-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-amine?
The InChIKey is BOITWNBVJZCXSO-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19F3N4O2/c1-10(20)8-24-9-15-22-12-4-5-23(7-13(12)25-15)14-3-2-11(6-21-14)16(17,18)19/h2-3,6,10H,4-5,7-9,20H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-1-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-amine?
(2S)-1-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-amine has a molecular weight of 356.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-amine is sourced from PubChem (CID 171779100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).