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

C14H15N5O — CID 82210552

IUPAC4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]aniline
SMILESCc1noc(C)c1Cn1nncc1-c1ccc(N)cc1
InChIInChI=1S/C14H15N5O/c1-9-13(10(2)20-17-9)8-19-14(7-16-18-19)11-3-5-12(15)6-4-11/h3-7H,8,15H2,1-2H3
InChIKeyRIVIKRAVCCRBCI-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.18
Rot. Bonds3

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

4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]aniline (PubChem CID 82210552) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]aniline.

Molecular Properties

Compound Name4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]aniline
PubChem CID82210552
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]aniline
SMILESCc1noc(C)c1Cn1nncc1-c1ccc(N)cc1
InChIInChI=1S/C14H15N5O/c1-9-13(10(2)20-17-9)8-19-14(7-16-18-19)11-3-5-12(15)6-4-11/h3-7H,8,15H2,1-2H3
InChIKeyRIVIKRAVCCRBCI-UHFFFAOYSA-N
XLogP2.18
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-propyltriazol-4-yl)aniline
CID 82205210
ethyl 1-[4-[4-[3-methyl-4-[(5-phenyltriazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66579408
2-(4-aminophenyl)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 119857160
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3,4-dimethylphenyl)triazole-4-carbaldehyde
CID 94946024
[4-[[5-(4-chloro-3-methylphenyl)triazol-1-yl]methyl]phenyl]methanamine
CID 94963163
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]ethanamine
CID 116641942
4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-2-one
CID 125180340
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]methanamine
CID 62055899
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(phenoxymethyl)triazol-4-yl]methanamine
CID 94946059
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]tetrazol-5-yl]acetic acid
CID 84758799
4-[(4-ethenylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 122240819
4-[[2-bromo-4-chloro-5-(4-methylphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 54091626

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]aniline?
The IUPAC name of 4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]aniline (CID 82210552) is 4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]aniline.
What is the SMILES notation for 4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]aniline?
The canonical SMILES for 4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]aniline is Cc1noc(C)c1Cn1nncc1-c1ccc(N)cc1.
What is the InChIKey of 4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]aniline?
The InChIKey is RIVIKRAVCCRBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9-13(10(2)20-17-9)8-19-14(7-16-18-19)11-3-5-12(15)6-4-11/h3-7H,8,15H2,1-2H3.
What are the key properties of 4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]aniline?
4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]aniline has a molecular weight of 269.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]aniline is sourced from PubChem (CID 82210552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).