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

C11H17N5O — CID 78989481

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1noc(C)c1CNCc1nnc(C)n1C
InChIInChI=1S/C11H17N5O/c1-7-10(8(2)17-15-7)5-12-6-11-14-13-9(3)16(11)4/h12H,5-6H2,1-4H3
InChIKeyCZRFCTCUKOAGQS-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.02
Rot. Bonds4

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

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 78989481) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID78989481
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1noc(C)c1CNCc1nnc(C)n1C
InChIInChI=1S/C11H17N5O/c1-7-10(8(2)17-15-7)5-12-6-11-14-13-9(3)16(11)4/h12H,5-6H2,1-4H3
InChIKeyCZRFCTCUKOAGQS-UHFFFAOYSA-N
XLogP1.02
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine with MolForge

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol
CID 28833064
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 60887968
1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 43524641
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114616964
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine
CID 28780758
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905487
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutan-1-amine
CID 115756634
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methylsulfanylethanamine
CID 63966644
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103437907
1-(3,5-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
CID 115579772
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 28781392

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 78989481) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine is Cc1noc(C)c1CNCc1nnc(C)n1C.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is CZRFCTCUKOAGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-7-10(8(2)17-15-7)5-12-6-11-14-13-9(3)16(11)4/h12H,5-6H2,1-4H3.
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 235.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 78989481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).