1-[5-(4-benzyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine

C20H22N2O2 — CID 163307292

IUPAC1-[5-(4-benzyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine
SMILESCOc1ccc(-c2ocnc2Cc2ccccc2)cc1CN(C)C
InChIInChI=1S/C20H22N2O2/c1-22(2)13-17-12-16(9-10-19(17)23-3)20-18(21-14-24-20)11-15-7-5-4-6-8-15/h4-10,12,14H,11,13H2,1-3H3
InChIKeyMUNXYWLKEHDPQT-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.00
Rot. Bonds6

About 1-[5-(4-benzyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine

1-[5-(4-benzyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine (PubChem CID 163307292) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[5-(4-benzyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-(4-benzyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine
PubChem CID163307292
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-[5-(4-benzyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine
SMILESCOc1ccc(-c2ocnc2Cc2ccccc2)cc1CN(C)C
InChIInChI=1S/C20H22N2O2/c1-22(2)13-17-12-16(9-10-19(17)23-3)20-18(21-14-24-20)11-15-7-5-4-6-8-15/h4-10,12,14H,11,13H2,1-3H3
InChIKeyMUNXYWLKEHDPQT-UHFFFAOYSA-N
XLogP4.00
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4-benzyl-1,3-oxazol-5-yl)phenoxy]-N,N-dimethylpropan-1-amine
CID 163310411
4-benzyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole
CID 163305240
1-[5-(2-chlorophenyl)-2-methoxyphenyl]-N,N-dimethylmethanamine
CID 54565431
4-(cyclopropylmethyl)-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
CID 162638174
4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazole
CID 21408543
3-[(dimethylamino)methyl]-4-methoxybenzaldehyde
CID 3159838
4-benzyl-5-(5-methyl-2-pyridinyl)-1,3-oxazole
CID 163316308
(5-benzyl-2-methoxyphenyl)methanethiol
CID 170413203
1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine
CID 162400127
1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682
2-[2-[(dimethylamino)methyl]-4-phenylphenoxy]-N-[(2-methoxyphenyl)methyl]acetamide
CID 42481778
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-benzyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-(4-benzyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine (CID 163307292) is 1-[5-(4-benzyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-(4-benzyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-(4-benzyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine is COc1ccc(-c2ocnc2Cc2ccccc2)cc1CN(C)C.
What is the InChIKey of 1-[5-(4-benzyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine?
The InChIKey is MUNXYWLKEHDPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-22(2)13-17-12-16(9-10-19(17)23-3)20-18(21-14-24-20)11-15-7-5-4-6-8-15/h4-10,12,14H,11,13H2,1-3H3.
What are the key properties of 1-[5-(4-benzyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine?
1-[5-(4-benzyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine has a molecular weight of 322.41 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-benzyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 163307292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).