1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-methoxy-3-methylcyclobutyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol

C27H36N4O4 — CID 152949713

About 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-methoxy-3-methylcyclobutyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol

1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-methoxy-3-methylcyclobutyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol (PubChem CID 152949713) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-methoxy-3-methylcyclobutyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

• Compound Name: 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-methoxy-3-methylcyclobutyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
• PubChem CID: 152949713
• Molecular Formula: C27H36N4O4
• Molecular Weight: 480.61 g/mol
• Exact Mass: 480.27
• IUPAC Name: 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-methoxy-3-methylcyclobutyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
• SMILES: CNCC(O)COc1cccc(-c2nc(CC3CC(C)(OC)C3)c(C)c(-c3c(C)noc3C)n2)c1
• InChI: InChI=1S/C27H36N4O4/c1-16-23(10-19-12-27(4,13-19)33-6)29-26(30-25(16)24-17(2)31-35-18(24)3)20-8-7-9-22(11-20)34-15-21(32)14-28-5/h7-9,11,19,21,28,32H,10,12-15H2,1-6H3
• InChIKey: UOLLPTHOEACHIR-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 102.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.61
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-methoxy-3-methylcyclobutyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol (CID 152949713) is 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-methoxy-3-methylcyclobutyl)methyl]-5-methylpyrimidin-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)-6-[(3-methoxy-3-methylcyclobutyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?

The canonical SMILES for 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-methoxy-3-methylcyclobutyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol is CNCC(O)COc1cccc(-c2nc(CC3CC(C)(OC)C3)c(C)c(-c3c(C)noc3C)n2)c1.

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

The InChIKey is UOLLPTHOEACHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O4/c1-16-23(10-19-12-27(4,13-19)33-6)29-26(30-25(16)24-17(2)31-35-18(24)3)20-8-7-9-22(11-20)34-15-21(32)14-28-5/h7-9,11,19,21,28,32H,10,12-15H2,1-6H3.

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

1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-methoxy-3-methylcyclobutyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol has a molecular weight of 480.61 g/mol, XLogP of 4.04, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3-methoxy-3-methylcyclobutyl)methyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 152949713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).