[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone

C11H10F3N5O3 — CID 166280661

IUPAC[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
SMILESO=C(c1ncoc1C(F)(F)F)N1CCOC(c2ncn[nH]2)C1
InChIInChI=1S/C11H10F3N5O3/c12-11(13,14)8-7(16-5-22-8)10(20)19-1-2-21-6(3-19)9-15-4-17-18-9/h4-6H,1-3H2,(H,15,17,18)
InChIKeyNSJQIEJZDZCRRY-UHFFFAOYSA-N
MW317.23 g/mol
LogP1.03
Rot. Bonds2

About [2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone

[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone (PubChem CID 166280661) has the molecular formula C11H10F3N5O3 and a molecular weight of 317.23 g/mol. Its IUPAC name is [2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
PubChem CID166280661
Molecular FormulaC11H10F3N5O3
Molecular Weight317.23 g/mol
Exact Mass317.07
IUPAC Name[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
SMILESO=C(c1ncoc1C(F)(F)F)N1CCOC(c2ncn[nH]2)C1
InChIInChI=1S/C11H10F3N5O3/c12-11(13,14)8-7(16-5-22-8)10(20)19-1-2-21-6(3-19)9-15-4-17-18-9/h4-6H,1-3H2,(H,15,17,18)
InChIKeyNSJQIEJZDZCRRY-UHFFFAOYSA-N
XLogP1.03
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methoxy-5-methylphenyl)-[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 166280653
(5-ethyl-1,3-oxazol-4-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96511796
4-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)morpholine
CID 170366672
[4-(2-methylphenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
CID 138034460
[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 124960689
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[5-(furan-2-yl)-1,3-oxazol-4-yl]methanone
CID 95627585
[2-(4-chlorophenyl)morpholin-4-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 56746635
(3-aminopyrazin-2-yl)-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 38374250
[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 125016289
6-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidin-2-one
CID 155983475
[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 124953163
imidazo[1,2-a]pyrazin-8-yl-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96512697

Frequently Asked Questions

What is the IUPAC name of [2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of [2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone (CID 166280661) is [2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for [2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for [2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone is O=C(c1ncoc1C(F)(F)F)N1CCOC(c2ncn[nH]2)C1.
What is the InChIKey of [2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
The InChIKey is NSJQIEJZDZCRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O3/c12-11(13,14)8-7(16-5-22-8)10(20)19-1-2-21-6(3-19)9-15-4-17-18-9/h4-6H,1-3H2,(H,15,17,18).
What are the key properties of [2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone has a molecular weight of 317.23 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 166280661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).