N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine

C16H17N3O2 — CID 38877859

IUPACN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1cc(CN(C)Cc2ncc(-c3ccccc3)o2)no1
InChIInChI=1S/C16H17N3O2/c1-12-8-14(18-21-12)10-19(2)11-16-17-9-15(20-16)13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3
InChIKeyGJTIBUOMNBFUNV-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.27
Rot. Bonds5

About N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine

N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 38877859) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID38877859
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1cc(CN(C)Cc2ncc(-c3ccccc3)o2)no1
InChIInChI=1S/C16H17N3O2/c1-12-8-14(18-21-12)10-19(2)11-16-17-9-15(20-16)13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3
InChIKeyGJTIBUOMNBFUNV-UHFFFAOYSA-N
XLogP3.27
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine (CID 38877859) is N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine is Cc1cc(CN(C)Cc2ncc(-c3ccccc3)o2)no1.
What is the InChIKey of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is GJTIBUOMNBFUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12-8-14(18-21-12)10-19(2)11-16-17-9-15(20-16)13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3.
What are the key properties of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine?
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 283.33 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 38877859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).