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

C18H16ClF2N3O3 — CID 171518874

IUPACN-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3,3-difluorocyclobutane-1-carboxamide
SMILESO=C(NCc1cc2cc(Cl)c(OCc3ccon3)cc2[nH]1)C1CC(F)(F)C1
InChIInChI=1S/C18H16ClF2N3O3/c19-14-4-10-3-13(8-22-17(25)11-6-18(20,21)7-11)23-15(10)5-16(14)26-9-12-1-2-27-24-12/h1-5,11,23H,6-9H2,(H,22,25)
InChIKeyZDBUGZFWZDZGCV-UHFFFAOYSA-N
MW395.79 g/mol
LogP4.05
Rot. Bonds6

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

N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3,3-difluorocyclobutane-1-carboxamide (PubChem CID 171518874) has the molecular formula C18H16ClF2N3O3 and a molecular weight of 395.79 g/mol. Its IUPAC name is N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3,3-difluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3,3-difluorocyclobutane-1-carboxamide
PubChem CID171518874
Molecular FormulaC18H16ClF2N3O3
Molecular Weight395.79 g/mol
Exact Mass395.08
IUPAC NameN-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3,3-difluorocyclobutane-1-carboxamide
SMILESO=C(NCc1cc2cc(Cl)c(OCc3ccon3)cc2[nH]1)C1CC(F)(F)C1
InChIInChI=1S/C18H16ClF2N3O3/c19-14-4-10-3-13(8-22-17(25)11-6-18(20,21)7-11)23-15(10)5-16(14)26-9-12-1-2-27-24-12/h1-5,11,23H,6-9H2,(H,22,25)
InChIKeyZDBUGZFWZDZGCV-UHFFFAOYSA-N
XLogP4.05
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.79
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]propanamide
CID 171517819
1-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylurea
CID 171517843
1-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-(2-fluoroethyl)urea
CID 171517874
N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-fluorocyclopropane-1-carboxamide
CID 171517992
(3S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylpyrrolidine-1-carboxamide
CID 171518016
N-[[5-chloro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]acetamide
CID 171518098
N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpropanamide
CID 171518139
N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluoro-2-hydroxypropanamide
CID 171518149
N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide
CID 171518192
N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]propanamide
CID 171518238
N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3,3-difluorooxolane-2-carboxamide
CID 171518267
N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 171518276

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3,3-difluorocyclobutane-1-carboxamide?
The IUPAC name of N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3,3-difluorocyclobutane-1-carboxamide (CID 171518874) is N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3,3-difluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3,3-difluorocyclobutane-1-carboxamide?
The canonical SMILES for N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3,3-difluorocyclobutane-1-carboxamide is O=C(NCc1cc2cc(Cl)c(OCc3ccon3)cc2[nH]1)C1CC(F)(F)C1.
What is the InChIKey of N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3,3-difluorocyclobutane-1-carboxamide?
The InChIKey is ZDBUGZFWZDZGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2N3O3/c19-14-4-10-3-13(8-22-17(25)11-6-18(20,21)7-11)23-15(10)5-16(14)26-9-12-1-2-27-24-12/h1-5,11,23H,6-9H2,(H,22,25).
What are the key properties of N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3,3-difluorocyclobutane-1-carboxamide?
N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3,3-difluorocyclobutane-1-carboxamide has a molecular weight of 395.79 g/mol, XLogP of 4.05, 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]-3,3-difluorocyclobutane-1-carboxamide is sourced from PubChem (CID 171518874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).