N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyridin-2-ylmethoxy)phenyl]methanamine

C20H23N3O2 — CID 131927940

IUPACN-[(3-propyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyridin-2-ylmethoxy)phenyl]methanamine
SMILESCCCc1cc(CNCc2cccc(OCc3ccccn3)c2)on1
InChIInChI=1S/C20H23N3O2/c1-2-6-17-12-20(25-23-17)14-21-13-16-7-5-9-19(11-16)24-15-18-8-3-4-10-22-18/h3-5,7-12,21H,2,6,13-15H2,1H3
InChIKeyHDHAPRZCBOHZFB-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.89
Rot. Bonds9

About N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyridin-2-ylmethoxy)phenyl]methanamine

N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyridin-2-ylmethoxy)phenyl]methanamine (PubChem CID 131927940) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyridin-2-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-[(3-propyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyridin-2-ylmethoxy)phenyl]methanamine
PubChem CID131927940
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[(3-propyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyridin-2-ylmethoxy)phenyl]methanamine
SMILESCCCc1cc(CNCc2cccc(OCc3ccccn3)c2)on1
InChIInChI=1S/C20H23N3O2/c1-2-6-17-12-20(25-23-17)14-21-13-16-7-5-9-19(11-16)24-15-18-8-3-4-10-22-18/h3-5,7-12,21H,2,6,13-15H2,1H3
InChIKeyHDHAPRZCBOHZFB-UHFFFAOYSA-N
XLogP3.89
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62450321
N-[[5-[[3-(methoxymethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 63985026
N-[(2-methyloxolan-2-yl)methyl]-1-[3-(pyridin-2-ylmethoxy)phenyl]methanamine
CID 119160323
1-[(2R)-4-methylmorpholin-2-yl]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine
CID 95302096
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide
CID 47064950
1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]-N-methylmethanamine
CID 66157214
N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62443165
2-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 28534890
1,2-dimethyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 110893221
N-[[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-2-amine
CID 66157217
2-(2,6-dimethylphenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46478039
(3S)-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]azepan-2-one
CID 94531015

Frequently Asked Questions

What is the IUPAC name of N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyridin-2-ylmethoxy)phenyl]methanamine?
The IUPAC name of N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyridin-2-ylmethoxy)phenyl]methanamine (CID 131927940) is N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyridin-2-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyridin-2-ylmethoxy)phenyl]methanamine?
The canonical SMILES for N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyridin-2-ylmethoxy)phenyl]methanamine is CCCc1cc(CNCc2cccc(OCc3ccccn3)c2)on1.
What is the InChIKey of N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyridin-2-ylmethoxy)phenyl]methanamine?
The InChIKey is HDHAPRZCBOHZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-2-6-17-12-20(25-23-17)14-21-13-16-7-5-9-19(11-16)24-15-18-8-3-4-10-22-18/h3-5,7-12,21H,2,6,13-15H2,1H3.
What are the key properties of N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyridin-2-ylmethoxy)phenyl]methanamine?
N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyridin-2-ylmethoxy)phenyl]methanamine has a molecular weight of 337.42 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1-[3-(pyridin-2-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 131927940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).