1-[3-(difluoromethoxy)phenyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-N-methylmethanamine

C20H20F2N2O3 — CID 48632325

IUPAC1-[3-(difluoromethoxy)phenyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-N-methylmethanamine
SMILESCOc1ccc(-c2cnc(CN(C)Cc3cccc(OC(F)F)c3)o2)cc1
InChIInChI=1S/C20H20F2N2O3/c1-24(12-14-4-3-5-17(10-14)26-20(21)22)13-19-23-11-18(27-19)15-6-8-16(25-2)9-7-15/h3-11,20H,12-13H2,1-2H3
InChIKeyRVXVHNSYQXBVPG-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.58
Rot. Bonds8

About 1-[3-(difluoromethoxy)phenyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-N-methylmethanamine

1-[3-(difluoromethoxy)phenyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-N-methylmethanamine (PubChem CID 48632325) has the molecular formula C20H20F2N2O3 and a molecular weight of 374.39 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-N-methylmethanamine
PubChem CID48632325
Molecular FormulaC20H20F2N2O3
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name1-[3-(difluoromethoxy)phenyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-N-methylmethanamine
SMILESCOc1ccc(-c2cnc(CN(C)Cc3cccc(OC(F)F)c3)o2)cc1
InChIInChI=1S/C20H20F2N2O3/c1-24(12-14-4-3-5-17(10-14)26-20(21)22)13-19-23-11-18(27-19)15-6-8-16(25-2)9-7-15/h3-11,20H,12-13H2,1-2H3
InChIKeyRVXVHNSYQXBVPG-UHFFFAOYSA-N
XLogP4.58
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(difluoromethoxy)phenyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-N-methylmethanamine with MolForge

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Related Compounds

1-(6-methoxynaphthalen-2-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 18088834
3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119911544
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9040276
1-[3-(difluoromethoxy)phenyl]-N-methyl-N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine
CID 47551172
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
methyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate
CID 62012661
1-(3,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 9251492
1-(2-chloro-5-nitrophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-N-methylmethanamine
CID 48631870
1-(3-methoxyphenyl)-N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 26510056
1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine
CID 171328466
N-[(4-fluorophenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 52886697
[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine
CID 82360062

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-N-methylmethanamine (CID 48632325) is 1-[3-(difluoromethoxy)phenyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-N-methylmethanamine is COc1ccc(-c2cnc(CN(C)Cc3cccc(OC(F)F)c3)o2)cc1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-N-methylmethanamine?
The InChIKey is RVXVHNSYQXBVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O3/c1-24(12-14-4-3-5-17(10-14)26-20(21)22)13-19-23-11-18(27-19)15-6-8-16(25-2)9-7-15/h3-11,20H,12-13H2,1-2H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-N-methylmethanamine?
1-[3-(difluoromethoxy)phenyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-N-methylmethanamine has a molecular weight of 374.39 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 48632325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).