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

C15H15N5O — CID 86778784

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylpyrimidin-4-yl)aniline
SMILESCc1nccc(-c2cccc(NCc3noc(C)n3)c2)n1
InChIInChI=1S/C15H15N5O/c1-10-16-7-6-14(18-10)12-4-3-5-13(8-12)17-9-15-19-11(2)21-20-15/h3-8,17H,9H2,1-2H3
InChIKeyRGGPPSFMAOYMLG-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.76
Rot. Bonds4

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

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylpyrimidin-4-yl)aniline (PubChem CID 86778784) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylpyrimidin-4-yl)aniline.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylpyrimidin-4-yl)aniline
PubChem CID86778784
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylpyrimidin-4-yl)aniline
SMILESCc1nccc(-c2cccc(NCc3noc(C)n3)c2)n1
InChIInChI=1S/C15H15N5O/c1-10-16-7-6-14(18-10)12-4-3-5-13(8-12)17-9-15-19-11(2)21-20-15/h3-8,17H,9H2,1-2H3
InChIKeyRGGPPSFMAOYMLG-UHFFFAOYSA-N
XLogP2.76
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-iodo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746525
2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine
CID 106411583
tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate
CID 101394554
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
CID 107911446
4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746517
2-[[3-(2-methylpyrimidin-4-yl)anilino]methylidene]propanedinitrile
CID 168542375
4-bromo-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103741978
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 119707140
2-methyl-3-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide;hydrochloride
CID 119707145
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(2-methylpyrimidin-4-yl)anilino]acetamide
CID 43074585
2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile
CID 114183772
N-[(2-methylpyrimidin-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 62747530

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylpyrimidin-4-yl)aniline?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylpyrimidin-4-yl)aniline (CID 86778784) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylpyrimidin-4-yl)aniline.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylpyrimidin-4-yl)aniline?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylpyrimidin-4-yl)aniline is Cc1nccc(-c2cccc(NCc3noc(C)n3)c2)n1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylpyrimidin-4-yl)aniline?
The InChIKey is RGGPPSFMAOYMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10-16-7-6-14(18-10)12-4-3-5-13(8-12)17-9-15-19-11(2)21-20-15/h3-8,17H,9H2,1-2H3.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylpyrimidin-4-yl)aniline?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylpyrimidin-4-yl)aniline has a molecular weight of 281.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylpyrimidin-4-yl)aniline is sourced from PubChem (CID 86778784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).