N-[[5-fluoro-6-[(2-methyl-1,3-oxazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-2-methylpropanamide

C18H20FN3O3 — CID 171518515

IUPACN-[[5-fluoro-6-[(2-methyl-1,3-oxazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-2-methylpropanamide
SMILESCc1nc(COc2cc3[nH]c(CNC(=O)C(C)C)cc3cc2F)co1
InChIInChI=1S/C18H20FN3O3/c1-10(2)18(23)20-7-13-4-12-5-15(19)17(6-16(12)22-13)25-9-14-8-24-11(3)21-14/h4-6,8,10,22H,7,9H2,1-3H3,(H,20,23)
InChIKeyKHSUJFXOQKHRTP-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.45
Rot. Bonds6

About N-[[5-fluoro-6-[(2-methyl-1,3-oxazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-2-methylpropanamide

N-[[5-fluoro-6-[(2-methyl-1,3-oxazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-2-methylpropanamide (PubChem CID 171518515) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[[5-fluoro-6-[(2-methyl-1,3-oxazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[5-fluoro-6-[(2-methyl-1,3-oxazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-2-methylpropanamide
PubChem CID171518515
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC NameN-[[5-fluoro-6-[(2-methyl-1,3-oxazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-2-methylpropanamide
SMILESCc1nc(COc2cc3[nH]c(CNC(=O)C(C)C)cc3cc2F)co1
InChIInChI=1S/C18H20FN3O3/c1-10(2)18(23)20-7-13-4-12-5-15(19)17(6-16(12)22-13)25-9-14-8-24-11(3)21-14/h4-6,8,10,22H,7,9H2,1-3H3,(H,20,23)
InChIKeyKHSUJFXOQKHRTP-UHFFFAOYSA-N
XLogP3.45
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[5-fluoro-6-[(2-methyl-1,3-oxazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-2-methylpropanamide with MolForge

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Related Compounds

N-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpropanamide
CID 171518318
N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide
CID 171519183
N-[[5-fluoro-6-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide
CID 171518291
N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 171518276
N-[[5-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 171518676
N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide
CID 171519810
N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]oxetane-2-carboxamide
CID 171519022
N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpyrrolidine-1-carboxamide
CID 171518233
[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methanamine
CID 171519239
N-[[5-chloro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide
CID 171518561
1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171517859
(2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxybutanamide
CID 171518498

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-6-[(2-methyl-1,3-oxazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[5-fluoro-6-[(2-methyl-1,3-oxazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-2-methylpropanamide (CID 171518515) is N-[[5-fluoro-6-[(2-methyl-1,3-oxazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[5-fluoro-6-[(2-methyl-1,3-oxazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[5-fluoro-6-[(2-methyl-1,3-oxazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-2-methylpropanamide is Cc1nc(COc2cc3[nH]c(CNC(=O)C(C)C)cc3cc2F)co1.
What is the InChIKey of N-[[5-fluoro-6-[(2-methyl-1,3-oxazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-2-methylpropanamide?
The InChIKey is KHSUJFXOQKHRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-10(2)18(23)20-7-13-4-12-5-15(19)17(6-16(12)22-13)25-9-14-8-24-11(3)21-14/h4-6,8,10,22H,7,9H2,1-3H3,(H,20,23).
What are the key properties of N-[[5-fluoro-6-[(2-methyl-1,3-oxazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-2-methylpropanamide?
N-[[5-fluoro-6-[(2-methyl-1,3-oxazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-2-methylpropanamide has a molecular weight of 345.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-6-[(2-methyl-1,3-oxazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 171518515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).