(3S,4R)-1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]-3-methylpiperidin-4-ol

C17H22N4O2 — CID 124912954

About (3S,4R)-1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]-3-methylpiperidin-4-ol

(3S,4R)-1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]-3-methylpiperidin-4-ol (PubChem CID 124912954) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (3S,4R)-1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]-3-methylpiperidin-4-ol.

Molecular Properties

• Compound Name: (3S,4R)-1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]-3-methylpiperidin-4-ol
• PubChem CID: 124912954
• Molecular Formula: C17H22N4O2
• Molecular Weight: 314.39 g/mol
• Exact Mass: 314.17
• IUPAC Name: (3S,4R)-1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]-3-methylpiperidin-4-ol
• SMILES: Cc1cc(-c2cnc(N3CC[C@@H](O)[C@@H](C)C3)nc2C2CC2)on1
• InChI: InChI=1S/C17H22N4O2/c1-10-9-21(6-5-14(10)22)17-18-8-13(15-7-11(2)20-23-15)16(19-17)12-3-4-12/h7-8,10,12,14,22H,3-6,9H2,1-2H3/t10-,14+/m0/s1
• InChIKey: TTZPKWJYKFRJBJ-IINYFYTJSA-N
• XLogP: 2.52
• TPSA: 75.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.39
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (3S,4R)-1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]-3-methylpiperidin-4-ol (CID 124912954) is (3S,4R)-1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]-3-methylpiperidin-4-ol.

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

The canonical SMILES for (3S,4R)-1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]-3-methylpiperidin-4-ol is Cc1cc(-c2cnc(N3CC[C@@H](O)[C@@H](C)C3)nc2C2CC2)on1.

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

The InChIKey is TTZPKWJYKFRJBJ-IINYFYTJSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-10-9-21(6-5-14(10)22)17-18-8-13(15-7-11(2)20-23-15)16(19-17)12-3-4-12/h7-8,10,12,14,22H,3-6,9H2,1-2H3/t10-,14+/m0/s1.

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

(3S,4R)-1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]-3-methylpiperidin-4-ol has a molecular weight of 314.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R)-1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 124912954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).