5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine

C9H10N4O — CID 82468792

IUPAC5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCNc1cccc(-c2nnc(N)o2)c1
InChIInChI=1S/C9H10N4O/c1-11-7-4-2-3-6(5-7)8-12-13-9(10)14-8/h2-5,11H,1H3,(H2,10,13)
InChIKeyAMLLOXCKOLZULV-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.36
Rot. Bonds2

About 5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine

5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 82468792) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID82468792
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCNc1cccc(-c2nnc(N)o2)c1
InChIInChI=1S/C9H10N4O/c1-11-7-4-2-3-6(5-7)8-12-13-9(10)14-8/h2-5,11H,1H3,(H2,10,13)
InChIKeyAMLLOXCKOLZULV-UHFFFAOYSA-N
XLogP1.36
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[5-[4-[3-(methylamino)phenoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]aniline
CID 123635103
5-(3-butoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 91675556
N-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline
CID 82468640
5-quinolin-6-yl-1,3,4-oxadiazol-2-amine
CID 62850439
3-(5-bromo-1,3-benzoxazol-2-yl)-N-methylaniline
CID 142897927
3-[4-[3-(methylamino)phenyl]-6-phenyl-1,3,5-triazin-2-yl]aniline
CID 143239836
3-[4,6-bis[3-(methylamino)phenyl]pyrimidin-2-yl]aniline
CID 143239907
5-quinoxalin-6-yl-1,3,4-oxadiazol-2-amine
CID 62850606
N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]formamide
CID 168653438
5-(5-amino-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 4036354
5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-amine
CID 107971953
5-(4-ethylphenyl)-1,3,4-oxadiazol-2-amine
CID 18073044

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine (CID 82468792) is 5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine is CNc1cccc(-c2nnc(N)o2)c1.
What is the InChIKey of 5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is AMLLOXCKOLZULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-11-7-4-2-3-6(5-7)8-12-13-9(10)14-8/h2-5,11H,1H3,(H2,10,13).
What are the key properties of 5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine?
5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 190.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 82468792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).