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

C12H17N3O — CID 143900206

IUPACethane;N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESCC.Cc1nnc(CNc2ccccc2)o1
InChIInChI=1S/C10H11N3O.C2H6/c1-8-12-13-10(14-8)7-11-9-5-3-2-4-6-9;1-2/h2-6,11H,7H2,1H3;1-2H3
InChIKeyPCFBBEBFCRNEJP-UHFFFAOYSA-N
MW219.29 g/mol
LogP3.02
Rot. Bonds3

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

ethane;N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline (PubChem CID 143900206) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is ethane;N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline.

Molecular Properties

Compound Nameethane;N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
PubChem CID143900206
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Nameethane;N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESCC.Cc1nnc(CNc2ccccc2)o1
InChIInChI=1S/C10H11N3O.C2H6/c1-8-12-13-10(14-8)7-11-9-5-3-2-4-6-9;1-2/h2-6,11H,7H2,1H3;1-2H3
InChIKeyPCFBBEBFCRNEJP-UHFFFAOYSA-N
XLogP3.02
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-iodo-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 103604764
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylsulfanylaniline
CID 103604907
2,5-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-1-amine
CID 107914715
2,6-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 110651655
3,4,5-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 114015357
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]benzonitrile
CID 110651650
4-chloro-3-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914486
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-phenylpropan-1-ol
CID 113234125
3,5-dichloro-4-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914951
4-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 107914458
2-(2,2-diphenylethyl)-5-methyl-1,3,4-oxadiazole
CID 101481286
2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318432

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The IUPAC name of ethane;N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline (CID 143900206) is ethane;N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline.
What is the SMILES notation for ethane;N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The canonical SMILES for ethane;N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline is CC.Cc1nnc(CNc2ccccc2)o1.
What is the InChIKey of ethane;N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The InChIKey is PCFBBEBFCRNEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O.C2H6/c1-8-12-13-10(14-8)7-11-9-5-3-2-4-6-9;1-2/h2-6,11H,7H2,1H3;1-2H3.
What are the key properties of ethane;N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
ethane;N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline has a molecular weight of 219.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline is sourced from PubChem (CID 143900206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).