3-(5-methylpyrimidin-2-yl)-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide

C28H23F3N6O2 — CID 88989763

IUPAC3-(5-methylpyrimidin-2-yl)-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide
SMILESCc1cnc(-c2cc(C(=O)N[C@H](C)c3ccc(C(F)(F)F)nc3)cc(C3=NOC(c4ccccn4)C3)c2)nc1
InChIInChI=1S/C28H23F3N6O2/c1-16-13-34-26(35-14-16)20-9-19(23-12-24(39-37-23)22-5-3-4-8-32-22)10-21(11-20)27(38)36-17(2)18-6-7-25(33-15-18)28(29,30)31/h3-11,13-15,17,24H,12H2,1-2H3,(H,36,38)/t17-,24?/m1/s1
InChIKeySDJNTDZMFCGNHE-BPNWFJGMSA-N
MW532.53 g/mol
LogP5.62
Rot. Bonds6

About 3-(5-methylpyrimidin-2-yl)-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide

3-(5-methylpyrimidin-2-yl)-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide (PubChem CID 88989763) has the molecular formula C28H23F3N6O2 and a molecular weight of 532.53 g/mol. Its IUPAC name is 3-(5-methylpyrimidin-2-yl)-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide.

Molecular Properties

Compound Name3-(5-methylpyrimidin-2-yl)-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide
PubChem CID88989763
Molecular FormulaC28H23F3N6O2
Molecular Weight532.53 g/mol
Exact Mass532.18
IUPAC Name3-(5-methylpyrimidin-2-yl)-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide
SMILESCc1cnc(-c2cc(C(=O)N[C@H](C)c3ccc(C(F)(F)F)nc3)cc(C3=NOC(c4ccccn4)C3)c2)nc1
InChIInChI=1S/C28H23F3N6O2/c1-16-13-34-26(35-14-16)20-9-19(23-12-24(39-37-23)22-5-3-4-8-32-22)10-21(11-20)27(38)36-17(2)18-6-7-25(33-15-18)28(29,30)31/h3-11,13-15,17,24H,12H2,1-2H3,(H,36,38)/t17-,24?/m1/s1
InChIKeySDJNTDZMFCGNHE-BPNWFJGMSA-N
XLogP5.62
TPSA102.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.53
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(5-methylpyrimidin-2-yl)-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrimidin-2-yl)-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide?
The IUPAC name of 3-(5-methylpyrimidin-2-yl)-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide (CID 88989763) is 3-(5-methylpyrimidin-2-yl)-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide.
What is the SMILES notation for 3-(5-methylpyrimidin-2-yl)-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide?
The canonical SMILES for 3-(5-methylpyrimidin-2-yl)-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide is Cc1cnc(-c2cc(C(=O)N[C@H](C)c3ccc(C(F)(F)F)nc3)cc(C3=NOC(c4ccccn4)C3)c2)nc1.
What is the InChIKey of 3-(5-methylpyrimidin-2-yl)-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide?
The InChIKey is SDJNTDZMFCGNHE-BPNWFJGMSA-N. The full InChI is InChI=1S/C28H23F3N6O2/c1-16-13-34-26(35-14-16)20-9-19(23-12-24(39-37-23)22-5-3-4-8-32-22)10-21(11-20)27(38)36-17(2)18-6-7-25(33-15-18)28(29,30)31/h3-11,13-15,17,24H,12H2,1-2H3,(H,36,38)/t17-,24?/m1/s1.
What are the key properties of 3-(5-methylpyrimidin-2-yl)-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide?
3-(5-methylpyrimidin-2-yl)-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide has a molecular weight of 532.53 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrimidin-2-yl)-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide is sourced from PubChem (CID 88989763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).