1-(2,3-dihydro-1H-inden-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine

C17H22N2O — CID 103913382

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1nc(CNC(C)c2ccc3c(c2)CCC3)oc1C
InChIInChI=1S/C17H22N2O/c1-11-13(3)20-17(19-11)10-18-12(2)15-8-7-14-5-4-6-16(14)9-15/h7-9,12,18H,4-6,10H2,1-3H3
InChIKeyASQIRZRXNUMFFJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.63
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine

1-(2,3-dihydro-1H-inden-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine (PubChem CID 103913382) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
PubChem CID103913382
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1nc(CNC(C)c2ccc3c(c2)CCC3)oc1C
InChIInChI=1S/C17H22N2O/c1-11-13(3)20-17(19-11)10-18-12(2)15-8-7-14-5-4-6-16(14)9-15/h7-9,12,18H,4-6,10H2,1-3H3
InChIKeyASQIRZRXNUMFFJ-UHFFFAOYSA-N
XLogP3.63
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine with MolForge

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Related Compounds

N,N-dimethyl-5-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]-1,2,4-oxadiazol-3-amine
CID 124625019
1-(2,3-dihydro-1H-inden-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 61281399
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 60695990
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-nitrophenyl)ethanamine
CID 106370518
6-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 84598824
N-[(2-methylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 61015757
1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786274
1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305868
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 65246342
1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 78971653
N-[(5-bromofuran-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43224333
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 106370395

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine (CID 103913382) is 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine is Cc1nc(CNC(C)c2ccc3c(c2)CCC3)oc1C.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The InChIKey is ASQIRZRXNUMFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11-13(3)20-17(19-11)10-18-12(2)15-8-7-14-5-4-6-16(14)9-15/h7-9,12,18H,4-6,10H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
1-(2,3-dihydro-1H-inden-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 103913382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).