4-methyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,3-oxazole-5-carboxamide

C12H10F3N3O2 — CID 28641332

IUPAC4-methyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)N[C@H](c1cccnc1)C(F)(F)F
InChIInChI=1S/C12H10F3N3O2/c1-7-9(20-6-17-7)11(19)18-10(12(13,14)15)8-3-2-4-16-5-8/h2-6,10H,1H3,(H,18,19)/t10-/m1/s1
InChIKeyVRMQWQKDRLMQAL-SNVBAGLBSA-N
MW285.23 g/mol
LogP2.41
Rot. Bonds3

About 4-methyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,3-oxazole-5-carboxamide

4-methyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,3-oxazole-5-carboxamide (PubChem CID 28641332) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,3-oxazole-5-carboxamide
PubChem CID28641332
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC Name4-methyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)N[C@H](c1cccnc1)C(F)(F)F
InChIInChI=1S/C12H10F3N3O2/c1-7-9(20-6-17-7)11(19)18-10(12(13,14)15)8-3-2-4-16-5-8/h2-6,10H,1H3,(H,18,19)/t10-/m1/s1
InChIKeyVRMQWQKDRLMQAL-SNVBAGLBSA-N
XLogP2.41
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,3-oxazole-5-carboxamide (CID 28641332) is 4-methyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)N[C@H](c1cccnc1)C(F)(F)F.
What is the InChIKey of 4-methyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,3-oxazole-5-carboxamide?
The InChIKey is VRMQWQKDRLMQAL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c1-7-9(20-6-17-7)11(19)18-10(12(13,14)15)8-3-2-4-16-5-8/h2-6,10H,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,3-oxazole-5-carboxamide?
4-methyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,3-oxazole-5-carboxamide has a molecular weight of 285.23 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 28641332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).