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

C14H19N3O — CID 81177185

IUPAC6,6-dimethyl-1-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine
SMILESCC1(C)Cc2c(ccn2Cc2ccon2)C(N)C1
InChIInChI=1S/C14H19N3O/c1-14(2)7-12(15)11-3-5-17(13(11)8-14)9-10-4-6-18-16-10/h3-6,12H,7-9,15H2,1-2H3
InChIKeyDAFKAPPNFQCFOG-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.50
Rot. Bonds2

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

6,6-dimethyl-1-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine (PubChem CID 81177185) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 6,6-dimethyl-1-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name6,6-dimethyl-1-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine
PubChem CID81177185
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name6,6-dimethyl-1-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine
SMILESCC1(C)Cc2c(ccn2Cc2ccon2)C(N)C1
InChIInChI=1S/C14H19N3O/c1-14(2)7-12(15)11-3-5-17(13(11)8-14)9-10-4-6-18-16-10/h3-6,12H,7-9,15H2,1-2H3
InChIKeyDAFKAPPNFQCFOG-UHFFFAOYSA-N
XLogP2.50
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.50
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-ylmethyl)-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 6,6-dimethyl-1-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine (CID 81177185) is 6,6-dimethyl-1-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 6,6-dimethyl-1-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 6,6-dimethyl-1-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine is CC1(C)Cc2c(ccn2Cc2ccon2)C(N)C1.
What is the InChIKey of 6,6-dimethyl-1-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine?
The InChIKey is DAFKAPPNFQCFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2)7-12(15)11-3-5-17(13(11)8-14)9-10-4-6-18-16-10/h3-6,12H,7-9,15H2,1-2H3.
What are the key properties of 6,6-dimethyl-1-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine?
6,6-dimethyl-1-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.50, 2 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-ylmethyl)-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 81177185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).