N-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide

C21H22FN3O3 — CID 171517856

IUPACN-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3cc(C4(F)CC4)c(OCc4ccon4)cc3[nH]2)CC1
InChIInChI=1S/C21H22FN3O3/c1-20(3-4-20)19(26)23-11-15-8-13-9-16(21(22)5-6-21)18(10-17(13)24-15)27-12-14-2-7-28-25-14/h2,7-10,24H,3-6,11-12H2,1H3,(H,23,26)
InChIKeyPEWDIOKFVTWBJX-UHFFFAOYSA-N
MW383.42 g/mol
LogP4.11
Rot. Bonds7

About N-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide

N-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 171517856) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is N-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
PubChem CID171517856
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC NameN-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3cc(C4(F)CC4)c(OCc4ccon4)cc3[nH]2)CC1
InChIInChI=1S/C21H22FN3O3/c1-20(3-4-20)19(26)23-11-15-8-13-9-16(21(22)5-6-21)18(10-17(13)24-15)27-12-14-2-7-28-25-14/h2,7-10,24H,3-6,11-12H2,1H3,(H,23,26)
InChIKeyPEWDIOKFVTWBJX-UHFFFAOYSA-N
XLogP4.11
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide (CID 171517856) is N-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NCc2cc3cc(C4(F)CC4)c(OCc4ccon4)cc3[nH]2)CC1.
What is the InChIKey of N-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is PEWDIOKFVTWBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-20(3-4-20)19(26)23-11-15-8-13-9-16(21(22)5-6-21)18(10-17(13)24-15)27-12-14-2-7-28-25-14/h2,7-10,24H,3-6,11-12H2,1H3,(H,23,26).
What are the key properties of N-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
N-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 171517856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).