N-[[5-chloro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide

C15H14ClN3O3 — CID 171518561

IUPACN-[[5-chloro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cc2cc(Cl)c(OCc3cocn3)cc2[nH]1
InChIInChI=1S/C15H14ClN3O3/c1-9(20)17-5-11-2-10-3-13(16)15(4-14(10)19-11)22-7-12-6-21-8-18-12/h2-4,6,8,19H,5,7H2,1H3,(H,17,20)
InChIKeyZNMJQNOSGAOMKX-UHFFFAOYSA-N
MW319.75 g/mol
LogP3.02
Rot. Bonds5

About N-[[5-chloro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide

N-[[5-chloro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide (PubChem CID 171518561) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is N-[[5-chloro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-chloro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide
PubChem CID171518561
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC NameN-[[5-chloro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cc2cc(Cl)c(OCc3cocn3)cc2[nH]1
InChIInChI=1S/C15H14ClN3O3/c1-9(20)17-5-11-2-10-3-13(16)15(4-14(10)19-11)22-7-12-6-21-8-18-12/h2-4,6,8,19H,5,7H2,1H3,(H,17,20)
InChIKeyZNMJQNOSGAOMKX-UHFFFAOYSA-N
XLogP3.02
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-chloro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide (CID 171518561) is N-[[5-chloro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-chloro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-chloro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide is CC(=O)NCc1cc2cc(Cl)c(OCc3cocn3)cc2[nH]1.
What is the InChIKey of N-[[5-chloro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide?
The InChIKey is ZNMJQNOSGAOMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-9(20)17-5-11-2-10-3-13(16)15(4-14(10)19-11)22-7-12-6-21-8-18-12/h2-4,6,8,19H,5,7H2,1H3,(H,17,20).
What are the key properties of N-[[5-chloro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide?
N-[[5-chloro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide has a molecular weight of 319.75 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide is sourced from PubChem (CID 171518561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).