N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylaniline

C17H17N3O — CID 52702834

IUPACN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylaniline
SMILESCCc1noc(CNc2ccccc2-c2ccccc2)n1
InChIInChI=1S/C17H17N3O/c1-2-16-19-17(21-20-16)12-18-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-11,18H,2,12H2,1H3
InChIKeyMJRGYYBRKRAWMW-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.91
Rot. Bonds5

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

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylaniline (PubChem CID 52702834) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylaniline.

Molecular Properties

Compound NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylaniline
PubChem CID52702834
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylaniline
SMILESCCc1noc(CNc2ccccc2-c2ccccc2)n1
InChIInChI=1S/C17H17N3O/c1-2-16-19-17(21-20-16)12-18-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-11,18H,2,12H2,1H3
InChIKeyMJRGYYBRKRAWMW-UHFFFAOYSA-N
XLogP3.91
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70771434
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-propan-2-ylsulfanylaniline
CID 75512994
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-phenylaniline
CID 60982356
N-[(6-methyl-2-pyridinyl)methyl]-2-phenylaniline
CID 79262883
N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 61385000
N-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65130461
N-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 79955022
5-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-propoxyaniline
CID 87029729
N-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 113291071
N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylaniline
CID 62749101
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methoxy-2-propan-2-yloxyaniline
CID 56782559

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylaniline?
The IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylaniline (CID 52702834) is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylaniline.
What is the SMILES notation for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylaniline?
The canonical SMILES for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylaniline is CCc1noc(CNc2ccccc2-c2ccccc2)n1.
What is the InChIKey of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylaniline?
The InChIKey is MJRGYYBRKRAWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-16-19-17(21-20-16)12-18-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-11,18H,2,12H2,1H3.
What are the key properties of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylaniline?
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylaniline has a molecular weight of 279.34 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylaniline is sourced from PubChem (CID 52702834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).