N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine

C15H17N5O — CID 106370291

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine
SMILESCc1nc(CNCc2n[nH]nc2-c2ccccc2)oc1C
InChIInChI=1S/C15H17N5O/c1-10-11(2)21-14(17-10)9-16-8-13-15(19-20-18-13)12-6-4-3-5-7-12/h3-7,16H,8-9H2,1-2H3,(H,18,19,20)
InChIKeySJGTZWCORGMURK-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.37
Rot. Bonds5

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine (PubChem CID 106370291) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine
PubChem CID106370291
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine
SMILESCc1nc(CNCc2n[nH]nc2-c2ccccc2)oc1C
InChIInChI=1S/C15H17N5O/c1-10-11(2)21-14(17-10)9-16-8-13-15(19-20-18-13)12-6-4-3-5-7-12/h3-7,16H,8-9H2,1-2H3,(H,18,19,20)
InChIKeySJGTZWCORGMURK-UHFFFAOYSA-N
XLogP2.37
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine
CID 106369481
1-(4-methylphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
CID 63641898
1-(1,3-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
CID 115989437
1-(1,5-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
CID 106037861
N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 63643321
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 60972826
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 62308041
1-(4,5-dibromofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106370288
4-ethyl-5-phenyl-2H-triazole
CID 15501643
N-[(5-phenyl-2H-triazol-4-yl)methyl]pentan-3-amine
CID 63643657
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-phenyltetrazol-5-yl)methanamine
CID 106372826
6-[(5-phenyl-2H-triazol-4-yl)methylamino]hexan-1-ol
CID 107848714

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine (CID 106370291) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine is Cc1nc(CNCc2n[nH]nc2-c2ccccc2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine?
The InChIKey is SJGTZWCORGMURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-10-11(2)21-14(17-10)9-16-8-13-15(19-20-18-13)12-6-4-3-5-7-12/h3-7,16H,8-9H2,1-2H3,(H,18,19,20).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine has a molecular weight of 283.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine is sourced from PubChem (CID 106370291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).