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

C25H22N4O2 — CID 8599949

IUPACN-methyl-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-naphthalen-2-ylmethanamine
SMILESCc1onc(-c2ccccc2)c1-c1nnc(CN(C)Cc2ccc3ccccc3c2)o1
InChIInChI=1S/C25H22N4O2/c1-17-23(24(28-31-17)20-9-4-3-5-10-20)25-27-26-22(30-25)16-29(2)15-18-12-13-19-8-6-7-11-21(19)14-18/h3-14H,15-16H2,1-2H3
InChIKeyXYHQJEDBERZVNL-UHFFFAOYSA-N
MW410.48 g/mol
LogP5.49
Rot. Bonds6

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

N-methyl-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-naphthalen-2-ylmethanamine (PubChem CID 8599949) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-methyl-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-naphthalen-2-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-naphthalen-2-ylmethanamine
PubChem CID8599949
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC NameN-methyl-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-naphthalen-2-ylmethanamine
SMILESCc1onc(-c2ccccc2)c1-c1nnc(CN(C)Cc2ccc3ccccc3c2)o1
InChIInChI=1S/C25H22N4O2/c1-17-23(24(28-31-17)20-9-4-3-5-10-20)25-27-26-22(30-25)16-29(2)15-18-12-13-19-8-6-7-11-21(19)14-18/h3-14H,15-16H2,1-2H3
InChIKeyXYHQJEDBERZVNL-UHFFFAOYSA-N
XLogP5.49
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-(4-fluorophenyl)-N-methyl-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine
CID 42088586
2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 35064681
2-[methyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]-N-propan-2-ylacetamide
CID 8914079
N-[(2-methylphenyl)methyl]-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 55648652
(1S)-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylethanamine
CID 9406604
benzyl-ethyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]azanium
CID 8563723
1-[4-[[methyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 86895121
[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl acetate
CID 29170255
1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60589437
4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
CID 17449742
2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 18134296
2-(4-tert-butylphenyl)-5-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 46815761

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-naphthalen-2-ylmethanamine?
The IUPAC name of N-methyl-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-naphthalen-2-ylmethanamine (CID 8599949) is N-methyl-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-naphthalen-2-ylmethanamine.
What is the SMILES notation for N-methyl-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-naphthalen-2-ylmethanamine?
The canonical SMILES for N-methyl-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-naphthalen-2-ylmethanamine is Cc1onc(-c2ccccc2)c1-c1nnc(CN(C)Cc2ccc3ccccc3c2)o1.
What is the InChIKey of N-methyl-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-naphthalen-2-ylmethanamine?
The InChIKey is XYHQJEDBERZVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-17-23(24(28-31-17)20-9-4-3-5-10-20)25-27-26-22(30-25)16-29(2)15-18-12-13-19-8-6-7-11-21(19)14-18/h3-14H,15-16H2,1-2H3.
What are the key properties of N-methyl-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-naphthalen-2-ylmethanamine?
N-methyl-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-naphthalen-2-ylmethanamine has a molecular weight of 410.48 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-naphthalen-2-ylmethanamine is sourced from PubChem (CID 8599949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).