[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methanamine

C18H18N2O3 — CID 68981656

IUPAC[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methanamine
SMILESCOc1ccc(-c2nc(CN)co2)cc1OCc1ccccc1
InChIInChI=1S/C18H18N2O3/c1-21-16-8-7-14(18-20-15(10-19)12-23-18)9-17(16)22-11-13-5-3-2-4-6-13/h2-9,12H,10-11,19H2,1H3
InChIKeyMPMDMPNSBPGEHL-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.39
Rot. Bonds6

About [2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methanamine

[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 68981656) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is [2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methanamine
PubChem CID68981656
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methanamine
SMILESCOc1ccc(-c2nc(CN)co2)cc1OCc1ccccc1
InChIInChI=1S/C18H18N2O3/c1-21-16-8-7-14(18-20-15(10-19)12-23-18)9-17(16)22-11-13-5-3-2-4-6-13/h2-9,12H,10-11,19H2,1H3
InChIKeyMPMDMPNSBPGEHL-UHFFFAOYSA-N
XLogP3.39
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methanamine with MolForge

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Related Compounds

2-[[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione
CID 68983901
3-(2-methoxyphenyl)-2-[[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-oxopropanoic acid
CID 150066190
2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethanol
CID 18515724
4-(chloromethyl)-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazole
CID 68981989
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
(E)-3-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]-1-(2-propan-2-yloxyphenyl)prop-2-en-1-one
CID 68982281
2-(chloromethyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4-oxadiazole
CID 46944561
3-(3,4-dimethoxyphenyl)-4-phenylmethoxyaniline
CID 169408827
4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole
CID 22009622
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3696985
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methanamine (CID 68981656) is [2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methanamine is COc1ccc(-c2nc(CN)co2)cc1OCc1ccccc1.
What is the InChIKey of [2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is MPMDMPNSBPGEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-21-16-8-7-14(18-20-15(10-19)12-23-18)9-17(16)22-11-13-5-3-2-4-6-13/h2-9,12H,10-11,19H2,1H3.
What are the key properties of [2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methanamine?
[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 310.35 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 68981656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).