[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine

C9H9N3O — CID 39869198

IUPAC[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nnco2)cc1
InChIInChI=1S/C9H9N3O/c10-5-7-1-3-8(4-2-7)9-12-11-6-13-9/h1-4,6H,5,10H2
InChIKeyLXYQJBCWBCAIEY-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.20
Rot. Bonds2

About [4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine

[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine (PubChem CID 39869198) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is [4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine
PubChem CID39869198
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nnco2)cc1
InChIInChI=1S/C9H9N3O/c10-5-7-1-3-8(4-2-7)9-12-11-6-13-9/h1-4,6H,5,10H2
InChIKeyLXYQJBCWBCAIEY-UHFFFAOYSA-N
XLogP1.20
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4-Oxadiazole, 2-5-diphenyl-
CID 12888
1,3,4-Oxadiazole, 2-phenyl-
CID 13217
2-(4-Methylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 259997
2,5-Bis(4-methylphenyl)-1,3,4-oxadiazole
CID 17227
2-Benzyl-5-phenyl-1,3,4-oxadiazole
CID 800230
1,3,4-Oxadiazole, 2-amino-5-phenyl-
CID 15363
2-(3-Bromophenyl)-1,3,4-oxadiazole
CID 978127
2-(3-Chlorophenyl)-1,3,4-oxadiazole
CID 24283020
5-(4-Methylphenyl)-1,3,4-oxadiazol-2-amine
CID 356898
Methyl phenyl-1,3,4-oxadiazole
CID 138101
2-(4-Bromophenyl)-1,3,4-oxadiazole
CID 715120
2-(3-(Trifluoromethyl)phenyl)-1,3,4-oxadiazole
CID 21962674

Frequently Asked Questions

What is the IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine?
The IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine (CID 39869198) is [4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine?
The canonical SMILES for [4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine is NCc1ccc(-c2nnco2)cc1.
What is the InChIKey of [4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine?
The InChIKey is LXYQJBCWBCAIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-5-7-1-3-8(4-2-7)9-12-11-6-13-9/h1-4,6H,5,10H2.
What are the key properties of [4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine?
[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine has a molecular weight of 175.19 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 39869198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).