N-[(4,5-dimethoxy-2-phenylmethoxyphenyl)methyl]-1,2-oxazol-3-amine

C19H20N2O4 — CID 68693296

IUPACN-[(4,5-dimethoxy-2-phenylmethoxyphenyl)methyl]-1,2-oxazol-3-amine
SMILESCOc1cc(CNc2ccon2)c(OCc2ccccc2)cc1OC
InChIInChI=1S/C19H20N2O4/c1-22-17-10-15(12-20-19-8-9-25-21-19)16(11-18(17)23-2)24-13-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,20,21)
InChIKeyKCTXRZBEZRJTPT-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.88
Rot. Bonds8

About N-[(4,5-dimethoxy-2-phenylmethoxyphenyl)methyl]-1,2-oxazol-3-amine

N-[(4,5-dimethoxy-2-phenylmethoxyphenyl)methyl]-1,2-oxazol-3-amine (PubChem CID 68693296) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[(4,5-dimethoxy-2-phenylmethoxyphenyl)methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-2-phenylmethoxyphenyl)methyl]-1,2-oxazol-3-amine
PubChem CID68693296
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[(4,5-dimethoxy-2-phenylmethoxyphenyl)methyl]-1,2-oxazol-3-amine
SMILESCOc1cc(CNc2ccon2)c(OCc2ccccc2)cc1OC
InChIInChI=1S/C19H20N2O4/c1-22-17-10-15(12-20-19-8-9-25-21-19)16(11-18(17)23-2)24-13-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,20,21)
InChIKeyKCTXRZBEZRJTPT-UHFFFAOYSA-N
XLogP3.88
TPSA65.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol
CID 53441132
1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene
CID 12062736
4-bromo-N-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]aniline
CID 66539871
2-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 170892300
3-(2,4-dimethoxy-5-phenylmethoxyphenyl)propanal
CID 71658250
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-phenylmethoxyphenyl)methanamine
CID 54855813
6-methyl-N-[(2-phenylmethoxyphenyl)methyl]pyrimidin-4-amine
CID 133297453
N-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]-1,3-benzodioxol-5-amine
CID 66539811
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969223
(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 171214318
N-[(4,5-dimethoxy-2-phenylmethoxyphenyl)methyl]-4-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]butan-1-amine
CID 23506738
N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 66544536

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-2-phenylmethoxyphenyl)methyl]-1,2-oxazol-3-amine?
The IUPAC name of N-[(4,5-dimethoxy-2-phenylmethoxyphenyl)methyl]-1,2-oxazol-3-amine (CID 68693296) is N-[(4,5-dimethoxy-2-phenylmethoxyphenyl)methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for N-[(4,5-dimethoxy-2-phenylmethoxyphenyl)methyl]-1,2-oxazol-3-amine?
The canonical SMILES for N-[(4,5-dimethoxy-2-phenylmethoxyphenyl)methyl]-1,2-oxazol-3-amine is COc1cc(CNc2ccon2)c(OCc2ccccc2)cc1OC.
What is the InChIKey of N-[(4,5-dimethoxy-2-phenylmethoxyphenyl)methyl]-1,2-oxazol-3-amine?
The InChIKey is KCTXRZBEZRJTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-22-17-10-15(12-20-19-8-9-25-21-19)16(11-18(17)23-2)24-13-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,20,21).
What are the key properties of N-[(4,5-dimethoxy-2-phenylmethoxyphenyl)methyl]-1,2-oxazol-3-amine?
N-[(4,5-dimethoxy-2-phenylmethoxyphenyl)methyl]-1,2-oxazol-3-amine has a molecular weight of 340.38 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethoxy-2-phenylmethoxyphenyl)methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 68693296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).