N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-methoxy-N-methylaniline

C16H21N3O2 — CID 62429145

IUPACN-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-methoxy-N-methylaniline
SMILESCOc1ccccc1N(C)Cc1cc(CNC2CC2)no1
InChIInChI=1S/C16H21N3O2/c1-19(15-5-3-4-6-16(15)20-2)11-14-9-13(18-21-14)10-17-12-7-8-12/h3-6,9,12,17H,7-8,10-11H2,1-2H3
InChIKeySJGCQNZMLNSWDI-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.57
Rot. Bonds7

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

N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-methoxy-N-methylaniline (PubChem CID 62429145) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-methoxy-N-methylaniline
PubChem CID62429145
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-methoxy-N-methylaniline
SMILESCOc1ccccc1N(C)Cc1cc(CNC2CC2)no1
InChIInChI=1S/C16H21N3O2/c1-19(15-5-3-4-6-16(15)20-2)11-14-9-13(18-21-14)10-17-12-7-8-12/h3-6,9,12,17H,7-8,10-11H2,1-2H3
InChIKeySJGCQNZMLNSWDI-UHFFFAOYSA-N
XLogP2.57
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-fluoro-N-methylaniline
CID 62435264
N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-2-methoxy-N-methylaniline
CID 62428787
N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine
CID 62433873
6-[(cyclopropylamino)methyl]-N-(2-methoxyphenyl)-N-methylpyridazin-3-amine
CID 62282714
N-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62439222
N-[[5-[[methyl(pentan-3-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55074758
N-cyclopropyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine
CID 62260608
N-[[5-[(2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62459429
N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 81067715
N-[[5-[[ethyl(2-methoxyethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55072609
N-[[5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 112665585
N-cyclopropyl-2,2-diethyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62259922

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-methoxy-N-methylaniline?
The IUPAC name of N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-methoxy-N-methylaniline (CID 62429145) is N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-methoxy-N-methylaniline.
What is the SMILES notation for N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-methoxy-N-methylaniline?
The canonical SMILES for N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-methoxy-N-methylaniline is COc1ccccc1N(C)Cc1cc(CNC2CC2)no1.
What is the InChIKey of N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-methoxy-N-methylaniline?
The InChIKey is SJGCQNZMLNSWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19(15-5-3-4-6-16(15)20-2)11-14-9-13(18-21-14)10-17-12-7-8-12/h3-6,9,12,17H,7-8,10-11H2,1-2H3.
What are the key properties of N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-methoxy-N-methylaniline?
N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-methoxy-N-methylaniline has a molecular weight of 287.36 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-methoxy-N-methylaniline is sourced from PubChem (CID 62429145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).