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

C17H18FN3O3 — CID 171518318

IUPACN-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1cc2cc(F)c(OCc3cocn3)cc2[nH]1
InChIInChI=1S/C17H18FN3O3/c1-10(2)17(22)19-6-12-3-11-4-14(18)16(5-15(11)21-12)24-8-13-7-23-9-20-13/h3-5,7,9-10,21H,6,8H2,1-2H3,(H,19,22)
InChIKeyPKYJHFFNPHOLDC-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.15
Rot. Bonds6

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

N-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpropanamide (PubChem CID 171518318) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpropanamide
PubChem CID171518318
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC NameN-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1cc2cc(F)c(OCc3cocn3)cc2[nH]1
InChIInChI=1S/C17H18FN3O3/c1-10(2)17(22)19-6-12-3-11-4-14(18)16(5-15(11)21-12)24-8-13-7-23-9-20-13/h3-5,7,9-10,21H,6,8H2,1-2H3,(H,19,22)
InChIKeyPKYJHFFNPHOLDC-UHFFFAOYSA-N
XLogP3.15
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpropanamide (CID 171518318) is N-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1cc2cc(F)c(OCc3cocn3)cc2[nH]1.
What is the InChIKey of N-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpropanamide?
The InChIKey is PKYJHFFNPHOLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-10(2)17(22)19-6-12-3-11-4-14(18)16(5-15(11)21-12)24-8-13-7-23-9-20-13/h3-5,7,9-10,21H,6,8H2,1-2H3,(H,19,22).
What are the key properties of N-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpropanamide?
N-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpropanamide has a molecular weight of 331.35 g/mol, XLogP of 3.15, 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-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 171518318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).