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

C17H15ClFN3O3 — CID 171517992

IUPACN-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-fluorocyclopropane-1-carboxamide
SMILESO=C(NCc1cc2cc(Cl)c(OCc3ccon3)cc2[nH]1)C1(F)CC1
InChIInChI=1S/C17H15ClFN3O3/c18-13-6-10-5-12(8-20-16(23)17(19)2-3-17)21-14(10)7-15(13)24-9-11-1-4-25-22-11/h1,4-7,21H,2-3,8-9H2,(H,20,23)
InChIKeyGLPNSFVHRJLIJZ-UHFFFAOYSA-N
MW363.78 g/mol
LogP3.51
Rot. Bonds6

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

N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-fluorocyclopropane-1-carboxamide (PubChem CID 171517992) has the molecular formula C17H15ClFN3O3 and a molecular weight of 363.78 g/mol. Its IUPAC name is N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-fluorocyclopropane-1-carboxamide
PubChem CID171517992
Molecular FormulaC17H15ClFN3O3
Molecular Weight363.78 g/mol
Exact Mass363.08
IUPAC NameN-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-fluorocyclopropane-1-carboxamide
SMILESO=C(NCc1cc2cc(Cl)c(OCc3ccon3)cc2[nH]1)C1(F)CC1
InChIInChI=1S/C17H15ClFN3O3/c18-13-6-10-5-12(8-20-16(23)17(19)2-3-17)21-14(10)7-15(13)24-9-11-1-4-25-22-11/h1,4-7,21H,2-3,8-9H2,(H,20,23)
InChIKeyGLPNSFVHRJLIJZ-UHFFFAOYSA-N
XLogP3.51
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-fluorocyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-fluorocyclopropane-1-carboxamide?
The IUPAC name of N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-fluorocyclopropane-1-carboxamide (CID 171517992) is N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-fluorocyclopropane-1-carboxamide is O=C(NCc1cc2cc(Cl)c(OCc3ccon3)cc2[nH]1)C1(F)CC1.
What is the InChIKey of N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-fluorocyclopropane-1-carboxamide?
The InChIKey is GLPNSFVHRJLIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O3/c18-13-6-10-5-12(8-20-16(23)17(19)2-3-17)21-14(10)7-15(13)24-9-11-1-4-25-22-11/h1,4-7,21H,2-3,8-9H2,(H,20,23).
What are the key properties of N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-fluorocyclopropane-1-carboxamide?
N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-fluorocyclopropane-1-carboxamide has a molecular weight of 363.78 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 171517992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).