3-[(5-chloro-4-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-oxazole

C15H14ClFN2O2 — CID 171519097

IUPAC3-[(5-chloro-4-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-oxazole
SMILESCC(C)c1cc2c(F)c(Cl)c(OCc3ccon3)cc2[nH]1
InChIInChI=1S/C15H14ClFN2O2/c1-8(2)11-5-10-12(18-11)6-13(14(16)15(10)17)20-7-9-3-4-21-19-9/h3-6,8,18H,7H2,1-2H3
InChIKeySUKDAJQIAORCCJ-UHFFFAOYSA-N
MW308.74 g/mol
LogP4.65
Rot. Bonds4

About 3-[(5-chloro-4-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-oxazole

3-[(5-chloro-4-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-oxazole (PubChem CID 171519097) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 3-[(5-chloro-4-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[(5-chloro-4-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-oxazole
PubChem CID171519097
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name3-[(5-chloro-4-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-oxazole
SMILESCC(C)c1cc2c(F)c(Cl)c(OCc3ccon3)cc2[nH]1
InChIInChI=1S/C15H14ClFN2O2/c1-8(2)11-5-10-12(18-11)6-13(14(16)15(10)17)20-7-9-3-4-21-19-9/h3-6,8,18H,7H2,1-2H3
InChIKeySUKDAJQIAORCCJ-UHFFFAOYSA-N
XLogP4.65
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-propan-2-yl-6-(pyridin-2-ylmethoxy)-1H-indole
CID 171731967
3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-(trifluoromethyl)-1,2-oxazole
CID 171519807
[3-chloro-4-(1,2-oxazol-3-ylmethoxy)phenyl]methanamine
CID 117052559
3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole
CID 171644760
N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide
CID 171518930
N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3,3-difluorocyclobutane-1-carboxamide
CID 171518874
2-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]imidazo[1,2-a]pyridine
CID 171731846
3-methoxy-4-(1,2-oxazol-3-ylmethoxy)benzoic acid
CID 117053432
3-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,2-oxazole
CID 141170966
5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-2-methyl-1,3-thiazole
CID 171519213
N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpyrrolidine-1-carboxamide
CID 171518233
4-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole
CID 171519301

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-4-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-oxazole?
The IUPAC name of 3-[(5-chloro-4-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-oxazole (CID 171519097) is 3-[(5-chloro-4-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-oxazole.
What is the SMILES notation for 3-[(5-chloro-4-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-oxazole?
The canonical SMILES for 3-[(5-chloro-4-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-oxazole is CC(C)c1cc2c(F)c(Cl)c(OCc3ccon3)cc2[nH]1.
What is the InChIKey of 3-[(5-chloro-4-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-oxazole?
The InChIKey is SUKDAJQIAORCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-8(2)11-5-10-12(18-11)6-13(14(16)15(10)17)20-7-9-3-4-21-19-9/h3-6,8,18H,7H2,1-2H3.
What are the key properties of 3-[(5-chloro-4-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-oxazole?
3-[(5-chloro-4-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-oxazole has a molecular weight of 308.74 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-4-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-oxazole is sourced from PubChem (CID 171519097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).