1-(1,3-dihydroisoindol-2-yl)-3-(3-methyl-1,2-oxazol-4-yl)propan-1-one

C15H16N2O2 — CID 141295992

IUPAC1-(1,3-dihydroisoindol-2-yl)-3-(3-methyl-1,2-oxazol-4-yl)propan-1-one
SMILESCc1nocc1CCC(=O)N1Cc2ccccc2C1
InChIInChI=1S/C15H16N2O2/c1-11-14(10-19-16-11)6-7-15(18)17-8-12-4-2-3-5-13(12)9-17/h2-5,10H,6-9H2,1H3
InChIKeyVMYKXQPMIGBTCL-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.46
Rot. Bonds3

About 1-(1,3-dihydroisoindol-2-yl)-3-(3-methyl-1,2-oxazol-4-yl)propan-1-one

1-(1,3-dihydroisoindol-2-yl)-3-(3-methyl-1,2-oxazol-4-yl)propan-1-one (PubChem CID 141295992) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(1,3-dihydroisoindol-2-yl)-3-(3-methyl-1,2-oxazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(1,3-dihydroisoindol-2-yl)-3-(3-methyl-1,2-oxazol-4-yl)propan-1-one
PubChem CID141295992
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name1-(1,3-dihydroisoindol-2-yl)-3-(3-methyl-1,2-oxazol-4-yl)propan-1-one
SMILESCc1nocc1CCC(=O)N1Cc2ccccc2C1
InChIInChI=1S/C15H16N2O2/c1-11-14(10-19-16-11)6-7-15(18)17-8-12-4-2-3-5-13(12)9-17/h2-5,10H,6-9H2,1H3
InChIKeyVMYKXQPMIGBTCL-UHFFFAOYSA-N
XLogP2.46
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylic acid
CID 110837061
1-(1,3-dihydroisoindol-2-yl)butan-1-one
CID 63613926
1-(1,3-dihydroisoindol-2-yl)-3-(1-methylindol-3-yl)propan-1-one
CID 141396393
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methyl-1,3-oxazol-4-yl)propan-1-one
CID 110679202
3-(3-phenyl-1,2-oxazol-4-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 71839862
2-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 66578516
methyl 5-(1,3-dihydroisoindol-2-yl)-5-oxopentanoate
CID 46113477
4-amino-1-(1,3-dihydroisoindol-2-yl)-4-methylpentan-1-one
CID 23091988
1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone
CID 110472108
3-(2-bromophenyl)-1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)propan-1-one
CID 121190953
2-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 154844250
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone
CID 110680042

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-3-(3-methyl-1,2-oxazol-4-yl)propan-1-one?
The IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-3-(3-methyl-1,2-oxazol-4-yl)propan-1-one (CID 141295992) is 1-(1,3-dihydroisoindol-2-yl)-3-(3-methyl-1,2-oxazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(1,3-dihydroisoindol-2-yl)-3-(3-methyl-1,2-oxazol-4-yl)propan-1-one?
The canonical SMILES for 1-(1,3-dihydroisoindol-2-yl)-3-(3-methyl-1,2-oxazol-4-yl)propan-1-one is Cc1nocc1CCC(=O)N1Cc2ccccc2C1.
What is the InChIKey of 1-(1,3-dihydroisoindol-2-yl)-3-(3-methyl-1,2-oxazol-4-yl)propan-1-one?
The InChIKey is VMYKXQPMIGBTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-14(10-19-16-11)6-7-15(18)17-8-12-4-2-3-5-13(12)9-17/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-(1,3-dihydroisoindol-2-yl)-3-(3-methyl-1,2-oxazol-4-yl)propan-1-one?
1-(1,3-dihydroisoindol-2-yl)-3-(3-methyl-1,2-oxazol-4-yl)propan-1-one has a molecular weight of 256.30 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroisoindol-2-yl)-3-(3-methyl-1,2-oxazol-4-yl)propan-1-one is sourced from PubChem (CID 141295992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).