(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol

C17H20N6O2 — CID 157017402

About (3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol

(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 157017402) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is (3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: (3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol
• PubChem CID: 157017402
• Molecular Formula: C17H20N6O2
• Molecular Weight: 340.39 g/mol
• Exact Mass: 340.16
• IUPAC Name: (3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol
• SMILES: Cc1cnn(-c2cc(N3C[C@@H](Cc4cc(C)no4)[C@H](O)C3)ncn2)c1
• InChI: InChI=1S/C17H20N6O2/c1-11-6-20-23(7-11)17-5-16(18-10-19-17)22-8-13(15(24)9-22)4-14-3-12(2)21-25-14/h3,5-7,10,13,15,24H,4,8-9H2,1-2H3/t13-,15-/m1/s1
• InChIKey: RMRBRSOJUDKSKU-UKRRQHHQSA-N
• XLogP: 1.31
• TPSA: 93.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.39
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol?

The IUPAC name of (3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol (CID 157017402) is (3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol.

What is the SMILES notation for (3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol?

The canonical SMILES for (3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol is Cc1cnn(-c2cc(N3C[C@@H](Cc4cc(C)no4)[C@H](O)C3)ncn2)c1.

What is the InChIKey of (3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol?

The InChIKey is RMRBRSOJUDKSKU-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-11-6-20-23(7-11)17-5-16(18-10-19-17)22-8-13(15(24)9-22)4-14-3-12(2)21-25-14/h3,5-7,10,13,15,24H,4,8-9H2,1-2H3/t13-,15-/m1/s1.

What are the key properties of (3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol?

(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 340.39 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 157017402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).