N,3,5-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline

C15H21N3O — CID 62462339

IUPACN,3,5-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline
SMILESCNCc1cc(CN(C)c2cc(C)cc(C)c2)on1
InChIInChI=1S/C15H21N3O/c1-11-5-12(2)7-14(6-11)18(4)10-15-8-13(9-16-3)17-19-15/h5-8,16H,9-10H2,1-4H3
InChIKeyKVDBXOBOUQCTBL-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.65
Rot. Bonds5

About N,3,5-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline

N,3,5-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline (PubChem CID 62462339) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline
PubChem CID62462339
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN,3,5-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline
SMILESCNCc1cc(CN(C)c2cc(C)cc(C)c2)on1
InChIInChI=1S/C15H21N3O/c1-11-5-12(2)7-14(6-11)18(4)10-15-8-13(9-16-3)17-19-15/h5-8,16H,9-10H2,1-4H3
InChIKeyKVDBXOBOUQCTBL-UHFFFAOYSA-N
XLogP2.65
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(3,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62454455
N,3,3-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-2-amine
CID 55073917
1-[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62461546
N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclopropanamine
CID 64522082
N,2-diethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine
CID 62436234
4-ethyl-N-methyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]aniline
CID 62434937
N-(furan-2-ylmethyl)-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine
CID 62462824
N-butan-2-yl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine
CID 62411588
1-[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 55070286
N,1-dimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]piperidin-3-amine
CID 62547704
1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine
CID 62984925
N-[[5-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,3,5-trimethylaniline
CID 62461802

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline?
The IUPAC name of N,3,5-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline (CID 62462339) is N,3,5-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline.
What is the SMILES notation for N,3,5-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline?
The canonical SMILES for N,3,5-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline is CNCc1cc(CN(C)c2cc(C)cc(C)c2)on1.
What is the InChIKey of N,3,5-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline?
The InChIKey is KVDBXOBOUQCTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-5-12(2)7-14(6-11)18(4)10-15-8-13(9-16-3)17-19-15/h5-8,16H,9-10H2,1-4H3.
What are the key properties of N,3,5-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline?
N,3,5-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline has a molecular weight of 259.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline is sourced from PubChem (CID 62462339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).