N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1-(1,3-oxazol-5-yl)ethanamine

C14H16F2N2O3 — CID 138014546

IUPACN-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1-(1,3-oxazol-5-yl)ethanamine
SMILESCOc1ccc(OC(F)F)c(CNC(C)c2cnco2)c1
InChIInChI=1S/C14H16F2N2O3/c1-9(13-7-17-8-20-13)18-6-10-5-11(19-2)3-4-12(10)21-14(15)16/h3-5,7-9,14,18H,6H2,1-2H3
InChIKeyUFYCJSJYRAWMRO-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.14
Rot. Bonds7

About N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1-(1,3-oxazol-5-yl)ethanamine

N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1-(1,3-oxazol-5-yl)ethanamine (PubChem CID 138014546) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1-(1,3-oxazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1-(1,3-oxazol-5-yl)ethanamine
PubChem CID138014546
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC NameN-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1-(1,3-oxazol-5-yl)ethanamine
SMILESCOc1ccc(OC(F)F)c(CNC(C)c2cnco2)c1
InChIInChI=1S/C14H16F2N2O3/c1-9(13-7-17-8-20-13)18-6-10-5-11(19-2)3-4-12(10)21-14(15)16/h3-5,7-9,14,18H,6H2,1-2H3
InChIKeyUFYCJSJYRAWMRO-UHFFFAOYSA-N
XLogP3.14
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43400255
N-[(2,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43222018
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63062845
3-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol
CID 111121970
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpyridin-4-amine
CID 133493352
1-(4-methoxyphenyl)-N-(1,3-oxazol-5-ylmethyl)ethanamine
CID 66243020
N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-2-amine
CID 81106019
1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43080290
(2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide
CID 119816354
3-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1,1,2-trimethylguanidine
CID 86781177
1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine
CID 61270001
2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline
CID 43699541

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1-(1,3-oxazol-5-yl)ethanamine?
The IUPAC name of N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1-(1,3-oxazol-5-yl)ethanamine (CID 138014546) is N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1-(1,3-oxazol-5-yl)ethanamine.
What is the SMILES notation for N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1-(1,3-oxazol-5-yl)ethanamine?
The canonical SMILES for N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1-(1,3-oxazol-5-yl)ethanamine is COc1ccc(OC(F)F)c(CNC(C)c2cnco2)c1.
What is the InChIKey of N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1-(1,3-oxazol-5-yl)ethanamine?
The InChIKey is UFYCJSJYRAWMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c1-9(13-7-17-8-20-13)18-6-10-5-11(19-2)3-4-12(10)21-14(15)16/h3-5,7-9,14,18H,6H2,1-2H3.
What are the key properties of N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1-(1,3-oxazol-5-yl)ethanamine?
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1-(1,3-oxazol-5-yl)ethanamine has a molecular weight of 298.29 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1-(1,3-oxazol-5-yl)ethanamine is sourced from PubChem (CID 138014546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).