2H-chromen-3-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

C19H21N3O4 — CID 129473093

About 2H-chromen-3-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

2H-chromen-3-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (PubChem CID 129473093) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2H-chromen-3-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: 2H-chromen-3-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
• PubChem CID: 129473093
• Molecular Formula: C19H21N3O4
• Molecular Weight: 355.39 g/mol
• Exact Mass: 355.15
• IUPAC Name: 2H-chromen-3-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
• SMILES: CC(C)c1nnc([C@@H]2COCCN2C(=O)C2=Cc3ccccc3OC2)o1
• InChI: InChI=1S/C19H21N3O4/c1-12(2)17-20-21-18(26-17)15-11-24-8-7-22(15)19(23)14-9-13-5-3-4-6-16(13)25-10-14/h3-6,9,12,15H,7-8,10-11H2,1-2H3/t15-/m0/s1
• InChIKey: QIONGXARTLPLKD-HNNXBMFYSA-N
• XLogP: 2.57
• TPSA: 77.69 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.39
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2H-chromen-3-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?

The IUPAC name of 2H-chromen-3-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (CID 129473093) is 2H-chromen-3-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.

What is the SMILES notation for 2H-chromen-3-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?

The canonical SMILES for 2H-chromen-3-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is CC(C)c1nnc([C@@H]2COCCN2C(=O)C2=Cc3ccccc3OC2)o1.

What is the InChIKey of 2H-chromen-3-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?

The InChIKey is QIONGXARTLPLKD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-12(2)17-20-21-18(26-17)15-11-24-8-7-22(15)19(23)14-9-13-5-3-4-6-16(13)25-10-14/h3-6,9,12,15H,7-8,10-11H2,1-2H3/t15-/m0/s1.

What are the key properties of 2H-chromen-3-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?

2H-chromen-3-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 355.39 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2H-chromen-3-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 129473093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).