N-methyl-4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]aniline

C14H19N3O — CID 113442813

IUPACN-methyl-4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCNc1ccc(-c2nc(CCC(C)C)no2)cc1
InChIInChI=1S/C14H19N3O/c1-10(2)4-9-13-16-14(18-17-13)11-5-7-12(15-3)8-6-11/h5-8,10,15H,4,9H2,1-3H3
InChIKeyRMQAEXXGGBGZIR-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.37
Rot. Bonds5

About N-methyl-4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]aniline

N-methyl-4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 113442813) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-methyl-4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound NameN-methyl-4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID113442813
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-methyl-4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCNc1ccc(-c2nc(CCC(C)C)no2)cc1
InChIInChI=1S/C14H19N3O/c1-10(2)4-9-13-16-14(18-17-13)11-5-7-12(15-3)8-6-11/h5-8,10,15H,4,9H2,1-3H3
InChIKeyRMQAEXXGGBGZIR-UHFFFAOYSA-N
XLogP3.37
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 104698797
N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 82468711
N-methyl-4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116632658
N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698800
2-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 62343277
4-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 44560734
2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 25220755
N-methyl-5-[4-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790656
2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 113447842
N-[[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 55065816
3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-1-amine
CID 115079419
2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(3-methylbutyl)acetamide
CID 42764937

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of N-methyl-4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]aniline (CID 113442813) is N-methyl-4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for N-methyl-4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for N-methyl-4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]aniline is CNc1ccc(-c2nc(CCC(C)C)no2)cc1.
What is the InChIKey of N-methyl-4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is RMQAEXXGGBGZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)4-9-13-16-14(18-17-13)11-5-7-12(15-3)8-6-11/h5-8,10,15H,4,9H2,1-3H3.
What are the key properties of N-methyl-4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]aniline?
N-methyl-4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 245.33 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 113442813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).