N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethyl-3-methylaniline

C14H19N3O — CID 62427811

IUPACN-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethyl-3-methylaniline
SMILESCCN(Cc1cc(CN)no1)c1cccc(C)c1
InChIInChI=1S/C14H19N3O/c1-3-17(13-6-4-5-11(2)7-13)10-14-8-12(9-15)16-18-14/h4-8H,3,9-10,15H2,1-2H3
InChIKeyJRXOHDHPKSWALS-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.47
Rot. Bonds5

About N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethyl-3-methylaniline

N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethyl-3-methylaniline (PubChem CID 62427811) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethyl-3-methylaniline.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethyl-3-methylaniline
PubChem CID62427811
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethyl-3-methylaniline
SMILESCCN(Cc1cc(CN)no1)c1cccc(C)c1
InChIInChI=1S/C14H19N3O/c1-3-17(13-6-4-5-11(2)7-13)10-14-8-12(9-15)16-18-14/h4-8H,3,9-10,15H2,1-2H3
InChIKeyJRXOHDHPKSWALS-UHFFFAOYSA-N
XLogP2.47
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-3-methylaniline
CID 62426756
N-ethyl-3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline
CID 78904148
2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline
CID 61076053
2-[(N-ethyl-3-methylanilino)methyl]-3-fluoroaniline
CID 63330884
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline
CID 82131996
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethylcyclopropanamine
CID 62422956
4-[(N-ethyl-3-methylanilino)methyl]phenol
CID 82973646
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol
CID 82981488
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-ethyl-3-methylaniline
CID 61104342

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethyl-3-methylaniline?
The IUPAC name of N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethyl-3-methylaniline (CID 62427811) is N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethyl-3-methylaniline.
What is the SMILES notation for N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethyl-3-methylaniline?
The canonical SMILES for N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethyl-3-methylaniline is CCN(Cc1cc(CN)no1)c1cccc(C)c1.
What is the InChIKey of N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethyl-3-methylaniline?
The InChIKey is JRXOHDHPKSWALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-17(13-6-4-5-11(2)7-13)10-14-8-12(9-15)16-18-14/h4-8H,3,9-10,15H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethyl-3-methylaniline?
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethyl-3-methylaniline has a molecular weight of 245.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethyl-3-methylaniline is sourced from PubChem (CID 62427811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).