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

C16H19N5O2 — CID 94946059

IUPAC[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine
SMILESCc1noc(C)c1Cn1nnc(CN)c1COc1ccccc1
InChIInChI=1S/C16H19N5O2/c1-11-14(12(2)23-19-11)9-21-16(15(8-17)18-20-21)10-22-13-6-4-3-5-7-13/h3-7H,8-10,17H2,1-2H3
InChIKeyVLJUYPSIFLIDFE-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.97
Rot. Bonds6

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

[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine (PubChem CID 94946059) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine
PubChem CID94946059
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine
SMILESCc1noc(C)c1Cn1nnc(CN)c1COc1ccccc1
InChIInChI=1S/C16H19N5O2/c1-11-14(12(2)23-19-11)9-21-16(15(8-17)18-20-21)10-22-13-6-4-3-5-7-13/h3-7H,8-10,17H2,1-2H3
InChIKeyVLJUYPSIFLIDFE-UHFFFAOYSA-N
XLogP1.97
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(2-fluorophenyl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine
CID 94943577
methyl 5-(2-aminoethyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazole-4-carboxylate
CID 103118315
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]methanamine
CID 62055899
[5-(2-methylpropyl)-1-(4-phenoxybutyl)triazol-4-yl]methanamine
CID 82209707
(1,5-dibenzyltriazol-4-yl)methanamine
CID 82203152
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone
CID 18074313
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenoxypropan-2-amine
CID 50960435
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-phenylphenoxy)acetate
CID 2364688
[5-[(2,6-dimethylphenoxy)methyl]-1-pentyltriazol-4-yl]methanamine
CID 82205870
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]ethanamine
CID 116641942
[5-[(4-chlorophenoxy)methyl]-1-propan-2-yltriazol-4-yl]methanamine
CID 82207067
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-2-phenylpropan-1-amine
CID 82140365

Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine?
The IUPAC name of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine (CID 94946059) is [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine?
The canonical SMILES for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine is Cc1noc(C)c1Cn1nnc(CN)c1COc1ccccc1.
What is the InChIKey of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine?
The InChIKey is VLJUYPSIFLIDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-11-14(12(2)23-19-11)9-21-16(15(8-17)18-20-21)10-22-13-6-4-3-5-7-13/h3-7H,8-10,17H2,1-2H3.
What are the key properties of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine?
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine has a molecular weight of 313.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 94946059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).