N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylmethanamine

C22H22N2O2 — CID 25382626

IUPACN-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylmethanamine
SMILESCc1ccc(-c2nc(CN(C)Cc3cccc4ccccc34)c(C)o2)o1
InChIInChI=1S/C22H22N2O2/c1-15-11-12-21(25-15)22-23-20(16(2)26-22)14-24(3)13-18-9-6-8-17-7-4-5-10-19(17)18/h4-12H,13-14H2,1-3H3
InChIKeyLNVCFNZJOZUZOS-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.34
Rot. Bonds5

About N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylmethanamine

N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylmethanamine (PubChem CID 25382626) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylmethanamine
PubChem CID25382626
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylmethanamine
SMILESCc1ccc(-c2nc(CN(C)Cc3cccc4ccccc34)c(C)o2)o1
InChIInChI=1S/C22H22N2O2/c1-15-11-12-21(25-15)22-23-20(16(2)26-22)14-24(3)13-18-9-6-8-17-7-4-5-10-19(17)18/h4-12H,13-14H2,1-3H3
InChIKeyLNVCFNZJOZUZOS-UHFFFAOYSA-N
XLogP5.34
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine
CID 42156732
N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine
CID 26405916
10-methoxy-5-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine
CID 26405650
N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 55543480
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline
CID 43458604
N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 45203103
1-naphthalen-1-yl-N,N-bis(trimethylsilyl)methanamine
CID 11779651
2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]aniline
CID 43526030
1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]methanamine
CID 25479030
N-methanidyl-N-methyl-1-naphthalen-1-ylmethanamine
CID 20723537
1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine
CID 56860557
N-methyl-1-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 26321974

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylmethanamine?
The IUPAC name of N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylmethanamine (CID 25382626) is N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylmethanamine.
What is the SMILES notation for N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylmethanamine?
The canonical SMILES for N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylmethanamine is Cc1ccc(-c2nc(CN(C)Cc3cccc4ccccc34)c(C)o2)o1.
What is the InChIKey of N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylmethanamine?
The InChIKey is LNVCFNZJOZUZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15-11-12-21(25-15)22-23-20(16(2)26-22)14-24(3)13-18-9-6-8-17-7-4-5-10-19(17)18/h4-12H,13-14H2,1-3H3.
What are the key properties of N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylmethanamine?
N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylmethanamine has a molecular weight of 346.43 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylmethanamine is sourced from PubChem (CID 25382626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).