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

C15H17N3O2 — CID 82360065

IUPAC1-[5-[2-(aminomethyl)-1,3-oxazol-5-yl]-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3cnc(CN)o3)cc2CC1C
InChIInChI=1S/C15H17N3O2/c1-9-5-12-6-11(14-8-17-15(7-16)20-14)3-4-13(12)18(9)10(2)19/h3-4,6,8-9H,5,7,16H2,1-2H3
InChIKeyPPSRZABKEWDGNP-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.10
Rot. Bonds2

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

1-[5-[2-(aminomethyl)-1,3-oxazol-5-yl]-2-methyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 82360065) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[5-[2-(aminomethyl)-1,3-oxazol-5-yl]-2-methyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-(aminomethyl)-1,3-oxazol-5-yl]-2-methyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID82360065
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[5-[2-(aminomethyl)-1,3-oxazol-5-yl]-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3cnc(CN)o3)cc2CC1C
InChIInChI=1S/C15H17N3O2/c1-9-5-12-6-11(14-8-17-15(7-16)20-14)3-4-13(12)18(9)10(2)19/h3-4,6,8-9H,5,7,16H2,1-2H3
InChIKeyPPSRZABKEWDGNP-UHFFFAOYSA-N
XLogP2.10
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-[2-(aminomethyl)-1,3-oxazol-5-yl]-2-methyl-2,3-dihydroindol-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-3-amino-1H-pyrazole-4-carbaldehyde
CID 82360227
1-(2,5-dimethyl-2,3-dihydroindol-1-yl)ethanone
CID 170151207
1-[(2S)-6-[4-(aminomethyl)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 71291078
1-[6-[5-(aminomethyl)thiophen-2-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 162374448
1-acetyl-N-(1-amino-2-methylpropan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119975736
6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 95474315
2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)isoindole-1,3-dione
CID 168517342
(1-acetyl-2-methyl-2,3-dihydroindol-5-yl) propanoate
CID 22633597
2-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 42926233
1-acetyl-N-(1-amino-4-methylpentan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 119983377
(2R)-1-acetyl-2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 51963359
1-acetyl-N-(1-aminopropan-2-yl)-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119982855

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(aminomethyl)-1,3-oxazol-5-yl]-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[2-(aminomethyl)-1,3-oxazol-5-yl]-2-methyl-2,3-dihydroindol-1-yl]ethanone (CID 82360065) is 1-[5-[2-(aminomethyl)-1,3-oxazol-5-yl]-2-methyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[2-(aminomethyl)-1,3-oxazol-5-yl]-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[2-(aminomethyl)-1,3-oxazol-5-yl]-2-methyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1c2ccc(-c3cnc(CN)o3)cc2CC1C.
What is the InChIKey of 1-[5-[2-(aminomethyl)-1,3-oxazol-5-yl]-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is PPSRZABKEWDGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-5-12-6-11(14-8-17-15(7-16)20-14)3-4-13(12)18(9)10(2)19/h3-4,6,8-9H,5,7,16H2,1-2H3.
What are the key properties of 1-[5-[2-(aminomethyl)-1,3-oxazol-5-yl]-2-methyl-2,3-dihydroindol-1-yl]ethanone?
1-[5-[2-(aminomethyl)-1,3-oxazol-5-yl]-2-methyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 271.32 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(aminomethyl)-1,3-oxazol-5-yl]-2-methyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 82360065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).