6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide

C20H18F3N3O3 — CID 42629930

IUPAC6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide
SMILESCc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@@H](C)C(F)(F)F)cn1
InChIInChI=1S/C20H18F3N3O3/c1-12-16(18(26-29-12)14-6-4-3-5-7-14)11-28-17-9-8-15(10-24-17)19(27)25-13(2)20(21,22)23/h3-10,13H,11H2,1-2H3,(H,25,27)/t13-/m0/s1
InChIKeyAXSNSFLHODCXTA-ZDUSSCGKSA-N
MW405.38 g/mol
LogP4.30
Rot. Bonds6

About 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide

6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide (PubChem CID 42629930) has the molecular formula C20H18F3N3O3 and a molecular weight of 405.38 g/mol. Its IUPAC name is 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide
PubChem CID42629930
Molecular FormulaC20H18F3N3O3
Molecular Weight405.38 g/mol
Exact Mass405.13
IUPAC Name6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide
SMILESCc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@@H](C)C(F)(F)F)cn1
InChIInChI=1S/C20H18F3N3O3/c1-12-16(18(26-29-12)14-6-4-3-5-7-14)11-28-17-9-8-15(10-24-17)19(27)25-13(2)20(21,22)23/h3-10,13H,11H2,1-2H3,(H,25,27)/t13-/m0/s1
InChIKeyAXSNSFLHODCXTA-ZDUSSCGKSA-N
XLogP4.30
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide (CID 42629930) is 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide is Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@@H](C)C(F)(F)F)cn1.
What is the InChIKey of 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide?
The InChIKey is AXSNSFLHODCXTA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18F3N3O3/c1-12-16(18(26-29-12)14-6-4-3-5-7-14)11-28-17-9-8-15(10-24-17)19(27)25-13(2)20(21,22)23/h3-10,13H,11H2,1-2H3,(H,25,27)/t13-/m0/s1.
What are the key properties of 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide?
6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide has a molecular weight of 405.38 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 42629930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).