(2S)-N-(2-ethylpyrimidin-5-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide

C16H22N6O3 — CID 129477494

About (2S)-N-(2-ethylpyrimidin-5-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide

(2S)-N-(2-ethylpyrimidin-5-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide (PubChem CID 129477494) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is (2S)-N-(2-ethylpyrimidin-5-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-(2-ethylpyrimidin-5-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
• PubChem CID: 129477494
• Molecular Formula: C16H22N6O3
• Molecular Weight: 346.39 g/mol
• Exact Mass: 346.18
• IUPAC Name: (2S)-N-(2-ethylpyrimidin-5-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
• SMILES: CCc1ncc(NC(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)cn1
• InChI: InChI=1S/C16H22N6O3/c1-4-13-17-7-11(8-18-13)19-16(23)22-5-6-24-12(9-22)15-21-20-14(25-15)10(2)3/h7-8,10,12H,4-6,9H2,1-3H3,(H,19,23)/t12-/m0/s1
• InChIKey: QCQCSUUMJHQMFE-LBPRGKRZSA-N
• XLogP: 2.15
• TPSA: 106.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.39
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethylpyrimidin-5-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide?

The IUPAC name of (2S)-N-(2-ethylpyrimidin-5-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide (CID 129477494) is (2S)-N-(2-ethylpyrimidin-5-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide.

What is the SMILES notation for (2S)-N-(2-ethylpyrimidin-5-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide?

The canonical SMILES for (2S)-N-(2-ethylpyrimidin-5-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide is CCc1ncc(NC(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)cn1.

What is the InChIKey of (2S)-N-(2-ethylpyrimidin-5-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide?

The InChIKey is QCQCSUUMJHQMFE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-4-13-17-7-11(8-18-13)19-16(23)22-5-6-24-12(9-22)15-21-20-14(25-15)10(2)3/h7-8,10,12H,4-6,9H2,1-3H3,(H,19,23)/t12-/m0/s1.

What are the key properties of (2S)-N-(2-ethylpyrimidin-5-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide?

(2S)-N-(2-ethylpyrimidin-5-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-(2-ethylpyrimidin-5-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 129477494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).