1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide

C20H23N3O3 — CID 171517859

About 1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide

1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 171517859) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
• PubChem CID: 171517859
• Molecular Formula: C20H23N3O3
• Molecular Weight: 353.42 g/mol
• Exact Mass: 353.17
• IUPAC Name: 1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
• SMILES: Cc1cc(COc2cc3[nH]c(CNC(=O)C4(C)CC4)cc3cc2C)no1
• InChI: InChI=1S/C20H23N3O3/c1-12-6-14-8-15(10-21-19(24)20(3)4-5-20)22-17(14)9-18(12)25-11-16-7-13(2)26-23-16/h6-9,22H,4-5,10-11H2,1-3H3,(H,21,24)
• InChIKey: PGEOENPDAKLNHA-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 80.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.42
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide (CID 171517859) is 1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide is Cc1cc(COc2cc3[nH]c(CNC(=O)C4(C)CC4)cc3cc2C)no1.

What is the InChIKey of 1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide?

The InChIKey is PGEOENPDAKLNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12-6-14-8-15(10-21-19(24)20(3)4-5-20)22-17(14)9-18(12)25-11-16-7-13(2)26-23-16/h6-9,22H,4-5,10-11H2,1-3H3,(H,21,24).

What are the key properties of 1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide?

1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 171517859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).