1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methylindol-3-yl]ethanone

C17H18N2O2 — CID 117098562

IUPAC1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methylindol-3-yl]ethanone
SMILESCC(=O)c1cn(Cc2c(C)noc2C)c2c(C)cccc12
InChIInChI=1S/C17H18N2O2/c1-10-6-5-7-14-16(12(3)20)9-19(17(10)14)8-15-11(2)18-21-13(15)4/h5-7,9H,8H2,1-4H3
InChIKeyYIJDIWLTDOHOQG-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.81
Rot. Bonds3

About 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methylindol-3-yl]ethanone

1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methylindol-3-yl]ethanone (PubChem CID 117098562) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methylindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methylindol-3-yl]ethanone
PubChem CID117098562
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methylindol-3-yl]ethanone
SMILESCC(=O)c1cn(Cc2c(C)noc2C)c2c(C)cccc12
InChIInChI=1S/C17H18N2O2/c1-10-6-5-7-14-16(12(3)20)9-19(17(10)14)8-15-11(2)18-21-13(15)4/h5-7,9H,8H2,1-4H3
InChIKeyYIJDIWLTDOHOQG-UHFFFAOYSA-N
XLogP3.81
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 66413883
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543861
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 58409595
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 35252936
(E)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-2-yl]prop-2-enoic acid
CID 39150689
1-[7-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]ethanone
CID 117098756
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-3-yl]ethanone
CID 142695128
2-(3-acetyl-7-ethylindol-1-yl)acetic acid
CID 6489109
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate
CID 2364748
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-one
CID 115679422
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-hydroxybenzamide
CID 155567505
1-[7-ethyl-1-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]ethanone
CID 97437401

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methylindol-3-yl]ethanone?
The IUPAC name of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methylindol-3-yl]ethanone (CID 117098562) is 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methylindol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methylindol-3-yl]ethanone?
The canonical SMILES for 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methylindol-3-yl]ethanone is CC(=O)c1cn(Cc2c(C)noc2C)c2c(C)cccc12.
What is the InChIKey of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methylindol-3-yl]ethanone?
The InChIKey is YIJDIWLTDOHOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-10-6-5-7-14-16(12(3)20)9-19(17(10)14)8-15-11(2)18-21-13(15)4/h5-7,9H,8H2,1-4H3.
What are the key properties of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methylindol-3-yl]ethanone?
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methylindol-3-yl]ethanone has a molecular weight of 282.34 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methylindol-3-yl]ethanone is sourced from PubChem (CID 117098562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).