(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone

C14H14F3N3O2 — CID 38161377

IUPAC(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1noc2ncc(C(=O)N3CCC[C@H](C(F)(F)F)C3)cc12
InChIInChI=1S/C14H14F3N3O2/c1-8-11-5-9(6-18-12(11)22-19-8)13(21)20-4-2-3-10(7-20)14(15,16)17/h5-6,10H,2-4,7H2,1H3/t10-/m0/s1
InChIKeyRHVSPNCPNDRPCS-JTQLQIEISA-N
MW313.28 g/mol
LogP2.95
Rot. Bonds1

About (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone

(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 38161377) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID38161377
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1noc2ncc(C(=O)N3CCC[C@H](C(F)(F)F)C3)cc12
InChIInChI=1S/C14H14F3N3O2/c1-8-11-5-9(6-18-12(11)22-19-8)13(21)20-4-2-3-10(7-20)14(15,16)17/h5-6,10H,2-4,7H2,1H3/t10-/m0/s1
InChIKeyRHVSPNCPNDRPCS-JTQLQIEISA-N
XLogP2.95
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 62371859
(3-hydroxyazetidin-1-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 55178781
methyl 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylate
CID 112733952
(2,6-dimethylmorpholin-4-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 47150631
1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperidine-4-carbonitrile
CID 49062645
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride
CID 119631996
(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 42929602
2-[1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)azetidin-3-yl]acetic acid
CID 64604347
pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 764830
pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride
CID 21235844
(5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 129367196
[3-methyl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 146096271

Frequently Asked Questions

What is the IUPAC name of (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone (CID 38161377) is (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone is Cc1noc2ncc(C(=O)N3CCC[C@H](C(F)(F)F)C3)cc12.
What is the InChIKey of (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is RHVSPNCPNDRPCS-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-8-11-5-9(6-18-12(11)22-19-8)13(21)20-4-2-3-10(7-20)14(15,16)17/h5-6,10H,2-4,7H2,1H3/t10-/m0/s1.
What are the key properties of (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 313.28 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 38161377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).