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

C18H24N2O — CID 139770680

IUPAC3-(1,4-dimethyl-2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine
SMILESCCN(CC)c1conc1C1Cc2c(C)cccc2C1C
InChIInChI=1S/C18H24N2O/c1-5-20(6-2)17-11-21-19-18(17)16-10-15-12(3)8-7-9-14(15)13(16)4/h7-9,11,13,16H,5-6,10H2,1-4H3
InChIKeyNKUMQCMIDMPARN-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.27
Rot. Bonds4

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

3-(1,4-dimethyl-2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine (PubChem CID 139770680) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-(1,4-dimethyl-2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine.

Molecular Properties

Compound Name3-(1,4-dimethyl-2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine
PubChem CID139770680
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-(1,4-dimethyl-2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine
SMILESCCN(CC)c1conc1C1Cc2c(C)cccc2C1C
InChIInChI=1S/C18H24N2O/c1-5-20(6-2)17-11-21-19-18(17)16-10-15-12(3)8-7-9-14(15)13(16)4/h7-9,11,13,16H,5-6,10H2,1-4H3
InChIKeyNKUMQCMIDMPARN-UHFFFAOYSA-N
XLogP4.27
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dimethyl-2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine?
The IUPAC name of 3-(1,4-dimethyl-2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine (CID 139770680) is 3-(1,4-dimethyl-2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine.
What is the SMILES notation for 3-(1,4-dimethyl-2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine?
The canonical SMILES for 3-(1,4-dimethyl-2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine is CCN(CC)c1conc1C1Cc2c(C)cccc2C1C.
What is the InChIKey of 3-(1,4-dimethyl-2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine?
The InChIKey is NKUMQCMIDMPARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-20(6-2)17-11-21-19-18(17)16-10-15-12(3)8-7-9-14(15)13(16)4/h7-9,11,13,16H,5-6,10H2,1-4H3.
What are the key properties of 3-(1,4-dimethyl-2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine?
3-(1,4-dimethyl-2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine has a molecular weight of 284.40 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dimethyl-2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-1,2-oxazol-4-amine is sourced from PubChem (CID 139770680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).