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

IUPAC1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)C4(C)CC4)cc3cc2C)no1
InChIInChI=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)
InChIKeyPGEOENPDAKLNHA-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.77
Rot. Bonds6

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 Name1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
PubChem CID171517859
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)C4(C)CC4)cc3cc2C)no1
InChIInChI=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)
InChIKeyPGEOENPDAKLNHA-UHFFFAOYSA-N
XLogP3.77
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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).