1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol

C25H29F3N4O3 — CID 147622732

About 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol

1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol (PubChem CID 147622732) has the molecular formula C25H29F3N4O3 and a molecular weight of 490.53 g/mol. Its IUPAC name is 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

• Compound Name: 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
• PubChem CID: 147622732
• Molecular Formula: C25H29F3N4O3
• Molecular Weight: 490.53 g/mol
• Exact Mass: 490.22
• IUPAC Name: 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
• SMILES: CNCC(O)COc1cccc(-c2nc(CC3(C(F)(F)F)CC3)c(C)c(-c3c(C)noc3C)n2)c1
• InChI: InChI=1S/C25H29F3N4O3/c1-14-20(11-24(8-9-24)25(26,27)28)30-23(31-22(14)21-15(2)32-35-16(21)3)17-6-5-7-19(10-17)34-13-18(33)12-29-4/h5-7,10,18,29,33H,8-9,11-13H2,1-4H3
• InChIKey: GEEOZLTUZVSJEB-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 93.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.53
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?

The IUPAC name of 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol (CID 147622732) is 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.

What is the SMILES notation for 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?

The canonical SMILES for 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol is CNCC(O)COc1cccc(-c2nc(CC3(C(F)(F)F)CC3)c(C)c(-c3c(C)noc3C)n2)c1.

What is the InChIKey of 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?

The InChIKey is GEEOZLTUZVSJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N4O3/c1-14-20(11-24(8-9-24)25(26,27)28)30-23(31-22(14)21-15(2)32-35-16(21)3)17-6-5-7-19(10-17)34-13-18(33)12-29-4/h5-7,10,18,29,33H,8-9,11-13H2,1-4H3.

What are the key properties of 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?

1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol has a molecular weight of 490.53 g/mol, XLogP of 4.57, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 147622732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).