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

C16H16FN3O3 — CID 171517819

IUPACN-[[4-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1cc2c(F)cc(OCc3ccon3)cc2[nH]1
InChIInChI=1S/C16H16FN3O3/c1-2-16(21)18-8-11-5-13-14(17)6-12(7-15(13)19-11)22-9-10-3-4-23-20-10/h3-7,19H,2,8-9H2,1H3,(H,18,21)
InChIKeyNCVCQYBQYASAGP-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.90
Rot. Bonds6

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

N-[[4-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]propanamide (PubChem CID 171517819) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is N-[[4-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[4-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]propanamide
PubChem CID171517819
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC NameN-[[4-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1cc2c(F)cc(OCc3ccon3)cc2[nH]1
InChIInChI=1S/C16H16FN3O3/c1-2-16(21)18-8-11-5-13-14(17)6-12(7-15(13)19-11)22-9-10-3-4-23-20-10/h3-7,19H,2,8-9H2,1H3,(H,18,21)
InChIKeyNCVCQYBQYASAGP-UHFFFAOYSA-N
XLogP2.90
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]propanamide?
The IUPAC name of N-[[4-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]propanamide (CID 171517819) is N-[[4-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[4-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]propanamide?
The canonical SMILES for N-[[4-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]propanamide is CCC(=O)NCc1cc2c(F)cc(OCc3ccon3)cc2[nH]1.
What is the InChIKey of N-[[4-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]propanamide?
The InChIKey is NCVCQYBQYASAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-2-16(21)18-8-11-5-13-14(17)6-12(7-15(13)19-11)22-9-10-3-4-23-20-10/h3-7,19H,2,8-9H2,1H3,(H,18,21).
What are the key properties of N-[[4-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]propanamide?
N-[[4-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]propanamide has a molecular weight of 317.32 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]propanamide is sourced from PubChem (CID 171517819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).