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

C14H13N5O — CID 60836264

IUPAC4-methyl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
SMILESCc1ccc(NCc2nc(-c3cnccn3)no2)cc1
InChIInChI=1S/C14H13N5O/c1-10-2-4-11(5-3-10)17-9-13-18-14(19-20-13)12-8-15-6-7-16-12/h2-8,17H,9H2,1H3
InChIKeyHQAMNCHEHAKVDN-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.45
Rot. Bonds4

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

4-methyl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline (PubChem CID 60836264) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-methyl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
PubChem CID60836264
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name4-methyl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
SMILESCc1ccc(NCc2nc(-c3cnccn3)no2)cc1
InChIInChI=1S/C14H13N5O/c1-10-2-4-11(5-3-10)17-9-13-18-14(19-20-13)12-8-15-6-7-16-12/h2-8,17H,9H2,1H3
InChIKeyHQAMNCHEHAKVDN-UHFFFAOYSA-N
XLogP2.45
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63758301
2-methyl-N-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 54924115
4-methyl-N-[[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 136984502
N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline
CID 62716290
N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 134354986
4-methyl-N-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 115528705
N-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 54924068
3,3-dimethyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345917
3-chloro-4-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 30776452
N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanesulfinamide
CID 134355005
2-methyl-N-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 63839477
1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345918

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The IUPAC name of 4-methyl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline (CID 60836264) is 4-methyl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline.
What is the SMILES notation for 4-methyl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The canonical SMILES for 4-methyl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline is Cc1ccc(NCc2nc(-c3cnccn3)no2)cc1.
What is the InChIKey of 4-methyl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The InChIKey is HQAMNCHEHAKVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-10-2-4-11(5-3-10)17-9-13-18-14(19-20-13)12-8-15-6-7-16-12/h2-8,17H,9H2,1H3.
What are the key properties of 4-methyl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline?
4-methyl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline has a molecular weight of 267.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline is sourced from PubChem (CID 60836264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).