[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone

C18H22N4O3 — CID 96511664

About [(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone

[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone (PubChem CID 96511664) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is [(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: [(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
• PubChem CID: 96511664
• Molecular Formula: C18H22N4O3
• Molecular Weight: 342.40 g/mol
• Exact Mass: 342.17
• IUPAC Name: [(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
• SMILES: CC(C)c1n[nH]c([C@H]2CN(C(=O)[C@H]3COc4ccccc43)CCO2)n1
• InChI: InChI=1S/C18H22N4O3/c1-11(2)16-19-17(21-20-16)15-9-22(7-8-24-15)18(23)13-10-25-14-6-4-3-5-12(13)14/h3-6,11,13,15H,7-10H2,1-2H3,(H,19,20,21)/t13-,15+/m0/s1
• InChIKey: FNQWXMYCQHECAP-DZGCQCFKSA-N
• XLogP: 2.00
• TPSA: 80.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.40
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?

The IUPAC name of [(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone (CID 96511664) is [(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone.

What is the SMILES notation for [(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?

The canonical SMILES for [(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone is CC(C)c1n[nH]c([C@H]2CN(C(=O)[C@H]3COc4ccccc43)CCO2)n1.

What is the InChIKey of [(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?

The InChIKey is FNQWXMYCQHECAP-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-11(2)16-19-17(21-20-16)15-9-22(7-8-24-15)18(23)13-10-25-14-6-4-3-5-12(13)14/h3-6,11,13,15H,7-10H2,1-2H3,(H,19,20,21)/t13-,15+/m0/s1.

What are the key properties of [(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?

[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 96511664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).