6-[(2S)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole

C17H14F3N3O2 — CID 71657084

IUPAC6-[(2S)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole
SMILESFC(F)(F)c1cc(-c2nc3ccc([C@H]4CNCCO4)cc3o2)ccn1
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)15-8-11(3-4-22-15)16-23-12-2-1-10(7-13(12)25-16)14-9-21-5-6-24-14/h1-4,7-8,14,21H,5-6,9H2/t14-/m1/s1
InChIKeyDAHFQRHOYHCOAT-CQSZACIVSA-N
MW349.31 g/mol
LogP3.57
Rot. Bonds2

About 6-[(2S)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole

6-[(2S)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole (PubChem CID 71657084) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 6-[(2S)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-[(2S)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole
PubChem CID71657084
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name6-[(2S)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole
SMILESFC(F)(F)c1cc(-c2nc3ccc([C@H]4CNCCO4)cc3o2)ccn1
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)15-8-11(3-4-22-15)16-23-12-2-1-10(7-13(12)25-16)14-9-21-5-6-24-14/h1-4,7-8,14,21H,5-6,9H2/t14-/m1/s1
InChIKeyDAHFQRHOYHCOAT-CQSZACIVSA-N
XLogP3.57
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 57948490
N-[1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472810
4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 675056
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 921484
3-ethoxy-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]benzamide
CID 1414353
N-(2-Pyridin-3-yl-benzooxazol-5-yl)-nicotinamide
CID 646942
2-Phenyl-N-(2-pyridin-4-yl-benzooxazol-5-yl)-acetamide
CID 649646
N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 650941
example 184 [WO2014186035]
CID 86280679
2-(2-fluorobenzyl)-N-[2-(2-pyridinyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 24816611
N-[2-(5-methoxy-2-phenylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 127042142
N-[2-[2-(4-fluorophenyl)-5-methoxyfuro[3,2-b]pyridin-3-yl]ethyl]acetamide
CID 127042442

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole?
The IUPAC name of 6-[(2S)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole (CID 71657084) is 6-[(2S)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole.
What is the SMILES notation for 6-[(2S)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole?
The canonical SMILES for 6-[(2S)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole is FC(F)(F)c1cc(-c2nc3ccc([C@H]4CNCCO4)cc3o2)ccn1.
What is the InChIKey of 6-[(2S)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole?
The InChIKey is DAHFQRHOYHCOAT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c18-17(19,20)15-8-11(3-4-22-15)16-23-12-2-1-10(7-13(12)25-16)14-9-21-5-6-24-14/h1-4,7-8,14,21H,5-6,9H2/t14-/m1/s1.
What are the key properties of 6-[(2S)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole?
6-[(2S)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole has a molecular weight of 349.31 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole is sourced from PubChem (CID 71657084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).