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

C14H15N5O — CID 106369481

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine
SMILESCc1cnc(CNCc2n[nH]nc2-c2ccccc2)o1
InChIInChI=1S/C14H15N5O/c1-10-7-16-13(20-10)9-15-8-12-14(18-19-17-12)11-5-3-2-4-6-11/h2-7,15H,8-9H2,1H3,(H,17,18,19)
InChIKeyDPJGGVVHRGMYBX-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.06
Rot. Bonds5

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

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine (PubChem CID 106369481) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine
PubChem CID106369481
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine
SMILESCc1cnc(CNCc2n[nH]nc2-c2ccccc2)o1
InChIInChI=1S/C14H15N5O/c1-10-7-16-13(20-10)9-15-8-12-14(18-19-17-12)11-5-3-2-4-6-11/h2-7,15H,8-9H2,1H3,(H,17,18,19)
InChIKeyDPJGGVVHRGMYBX-UHFFFAOYSA-N
XLogP2.06
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine
CID 106370291
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanamine
CID 103738795
1-(4-methylphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
CID 63641898
1-(1,5-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
CID 106037861
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 103578837
1-(1,3-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
CID 115989437
N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 63643321
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103738802
4-ethyl-5-phenyl-2H-triazole
CID 15501643
N-[(5-phenyl-2H-triazol-4-yl)methyl]pentan-3-amine
CID 63643657
6-[(5-phenyl-2H-triazol-4-yl)methylamino]hexan-1-ol
CID 107848714
1-(3,5-dibromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275470

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine (CID 106369481) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine is Cc1cnc(CNCc2n[nH]nc2-c2ccccc2)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine?
The InChIKey is DPJGGVVHRGMYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10-7-16-13(20-10)9-15-8-12-14(18-19-17-12)11-5-3-2-4-6-11/h2-7,15H,8-9H2,1H3,(H,17,18,19).
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine has a molecular weight of 269.31 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine is sourced from PubChem (CID 106369481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).