1-(3-methoxyphenyl)-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]methanamine

C22H20N2O2 — CID 56672478

IUPAC1-(3-methoxyphenyl)-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]methanamine
SMILESCOc1cccc(CNCc2coc(-c3cccc4ccccc34)n2)c1
InChIInChI=1S/C22H20N2O2/c1-25-19-9-4-6-16(12-19)13-23-14-18-15-26-22(24-18)21-11-5-8-17-7-2-3-10-20(17)21/h2-12,15,23H,13-14H2,1H3
InChIKeyYJDSVKFNDFYAIE-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.79
Rot. Bonds6

About 1-(3-methoxyphenyl)-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]methanamine

1-(3-methoxyphenyl)-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]methanamine (PubChem CID 56672478) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]methanamine
PubChem CID56672478
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name1-(3-methoxyphenyl)-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]methanamine
SMILESCOc1cccc(CNCc2coc(-c3cccc4ccccc34)n2)c1
InChIInChI=1S/C22H20N2O2/c1-25-19-9-4-6-16(12-19)13-23-14-18-15-26-22(24-18)21-11-5-8-17-7-2-3-10-20(17)21/h2-12,15,23H,13-14H2,1H3
InChIKeyYJDSVKFNDFYAIE-UHFFFAOYSA-N
XLogP4.79
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]methanamine
CID 56672439
1-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962176
N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
CID 56662110
1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760836
N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54940038
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54882211
1-(3-methoxyphenyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 17455113
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine
CID 111249629
N-(anthracen-9-ylmethyl)-1-(3,5-dimethoxyphenyl)methanamine
CID 46221872
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
1-(3-ethoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]methanamine
CID 63378526
3-(3-methoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
CID 110714640

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]methanamine (CID 56672478) is 1-(3-methoxyphenyl)-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]methanamine is COc1cccc(CNCc2coc(-c3cccc4ccccc34)n2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]methanamine?
The InChIKey is YJDSVKFNDFYAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-25-19-9-4-6-16(12-19)13-23-14-18-15-26-22(24-18)21-11-5-8-17-7-2-3-10-20(17)21/h2-12,15,23H,13-14H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]methanamine?
1-(3-methoxyphenyl)-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]methanamine has a molecular weight of 344.41 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]methanamine is sourced from PubChem (CID 56672478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).