3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine

C16H20N2O — CID 139770682

IUPAC3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine
SMILESCCN(CC)c1conc1C1Cc2ccccc2C1
InChIInChI=1S/C16H20N2O/c1-3-18(4-2)15-11-19-17-16(15)14-9-12-7-5-6-8-13(12)10-14/h5-8,11,14H,3-4,9-10H2,1-2H3
InChIKeyIMBWKLMZQKWIOK-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.40
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine

3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine (PubChem CID 139770682) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine
PubChem CID139770682
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine
SMILESCCN(CC)c1conc1C1Cc2ccccc2C1
InChIInChI=1S/C16H20N2O/c1-3-18(4-2)15-11-19-17-16(15)14-9-12-7-5-6-8-13(12)10-14/h5-8,11,14H,3-4,9-10H2,1-2H3
InChIKeyIMBWKLMZQKWIOK-UHFFFAOYSA-N
XLogP3.40
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine (CID 139770682) is 3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine is CCN(CC)c1conc1C1Cc2ccccc2C1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine?
The InChIKey is IMBWKLMZQKWIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-18(4-2)15-11-19-17-16(15)14-9-12-7-5-6-8-13(12)10-14/h5-8,11,14H,3-4,9-10H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine?
3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine has a molecular weight of 256.35 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine is sourced from PubChem (CID 139770682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).