6,6-dimethyl-1-(1,2-oxazol-3-yl)-5,7-dihydro-4H-indol-4-amine

C13H17N3O — CID 62902164

IUPAC6,6-dimethyl-1-(1,2-oxazol-3-yl)-5,7-dihydro-4H-indol-4-amine
SMILESCC1(C)Cc2c(ccn2-c2ccon2)C(N)C1
InChIInChI=1S/C13H17N3O/c1-13(2)7-10(14)9-3-5-16(11(9)8-13)12-4-6-17-15-12/h3-6,10H,7-8,14H2,1-2H3
InChIKeyFEJMSFOWQBJMDF-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.44
Rot. Bonds1

About 6,6-dimethyl-1-(1,2-oxazol-3-yl)-5,7-dihydro-4H-indol-4-amine

6,6-dimethyl-1-(1,2-oxazol-3-yl)-5,7-dihydro-4H-indol-4-amine (PubChem CID 62902164) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 6,6-dimethyl-1-(1,2-oxazol-3-yl)-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name6,6-dimethyl-1-(1,2-oxazol-3-yl)-5,7-dihydro-4H-indol-4-amine
PubChem CID62902164
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name6,6-dimethyl-1-(1,2-oxazol-3-yl)-5,7-dihydro-4H-indol-4-amine
SMILESCC1(C)Cc2c(ccn2-c2ccon2)C(N)C1
InChIInChI=1S/C13H17N3O/c1-13(2)7-10(14)9-3-5-16(11(9)8-13)12-4-6-17-15-12/h3-6,10H,7-8,14H2,1-2H3
InChIKeyFEJMSFOWQBJMDF-UHFFFAOYSA-N
XLogP2.44
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(1,2-oxazol-3-yl)-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 6,6-dimethyl-1-(1,2-oxazol-3-yl)-5,7-dihydro-4H-indol-4-amine (CID 62902164) is 6,6-dimethyl-1-(1,2-oxazol-3-yl)-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 6,6-dimethyl-1-(1,2-oxazol-3-yl)-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 6,6-dimethyl-1-(1,2-oxazol-3-yl)-5,7-dihydro-4H-indol-4-amine is CC1(C)Cc2c(ccn2-c2ccon2)C(N)C1.
What is the InChIKey of 6,6-dimethyl-1-(1,2-oxazol-3-yl)-5,7-dihydro-4H-indol-4-amine?
The InChIKey is FEJMSFOWQBJMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(2)7-10(14)9-3-5-16(11(9)8-13)12-4-6-17-15-12/h3-6,10H,7-8,14H2,1-2H3.
What are the key properties of 6,6-dimethyl-1-(1,2-oxazol-3-yl)-5,7-dihydro-4H-indol-4-amine?
6,6-dimethyl-1-(1,2-oxazol-3-yl)-5,7-dihydro-4H-indol-4-amine has a molecular weight of 231.30 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(1,2-oxazol-3-yl)-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 62902164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).