1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-3-yl]ethanone

C15H14N2O2 — CID 142695128

IUPAC1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(Cc2cc(C)on2)c2ccccc12
InChIInChI=1S/C15H14N2O2/c1-10-7-12(16-19-10)8-17-9-14(11(2)18)13-5-3-4-6-15(13)17/h3-7,9H,8H2,1-2H3
InChIKeyLBCGHBULZRQQEO-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.19
Rot. Bonds3

About 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-3-yl]ethanone

1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-3-yl]ethanone (PubChem CID 142695128) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-3-yl]ethanone
PubChem CID142695128
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(Cc2cc(C)on2)c2ccccc12
InChIInChI=1S/C15H14N2O2/c1-10-7-12(16-19-10)8-17-9-14(11(2)18)13-5-3-4-6-15(13)17/h3-7,9H,8H2,1-2H3
InChIKeyLBCGHBULZRQQEO-UHFFFAOYSA-N
XLogP3.19
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoquinoline-4-carboxylic acid
CID 62039037
2-(3-acetylindol-1-yl)acetaldehyde
CID 130321343
5-[(3-acetylindol-1-yl)methyl]furan-2-carboxylic acid
CID 117098458
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]indol-3-yl]ethanone
CID 95922052
[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66413936
ethyl 1-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]cyclopropane-1-carboxylate
CID 172810073
[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]indol-3-yl]methanamine
CID 66410340
1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone
CID 117098447
3-acetyl-1-benzylindole-5-carboxamide
CID 22382729
tert-butyl 2-(3-acetylindol-1-yl)acetate
CID 118322378
2-(3-acetylindol-1-yl)-N-tert-butylacetamide
CID 972491
3-(3-acetylindol-1-yl)-N-(1-methylpyrazol-4-yl)propanamide
CID 56762237

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-3-yl]ethanone?
The IUPAC name of 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-3-yl]ethanone (CID 142695128) is 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-3-yl]ethanone is CC(=O)c1cn(Cc2cc(C)on2)c2ccccc12.
What is the InChIKey of 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-3-yl]ethanone?
The InChIKey is LBCGHBULZRQQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10-7-12(16-19-10)8-17-9-14(11(2)18)13-5-3-4-6-15(13)17/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-3-yl]ethanone?
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-3-yl]ethanone has a molecular weight of 254.29 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-3-yl]ethanone is sourced from PubChem (CID 142695128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).