5-(carbazol-9-ylmethyl)-1,3,4-oxadiazol-2-amine

C15H12N4O — CID 46837423

IUPAC5-(carbazol-9-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(Cn2c3ccccc3c3ccccc32)o1
InChIInChI=1S/C15H12N4O/c16-15-18-17-14(20-15)9-19-12-7-3-1-5-10(12)11-6-2-4-8-13(11)19/h1-8H,9H2,(H2,16,18)
InChIKeyMOWBCMYBMRYNGN-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.81
Rot. Bonds2

About 5-(carbazol-9-ylmethyl)-1,3,4-oxadiazol-2-amine

5-(carbazol-9-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 46837423) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-(carbazol-9-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(carbazol-9-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID46837423
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name5-(carbazol-9-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(Cn2c3ccccc3c3ccccc32)o1
InChIInChI=1S/C15H12N4O/c16-15-18-17-14(20-15)9-19-12-7-3-1-5-10(12)11-6-2-4-8-13(11)19/h1-8H,9H2,(H2,16,18)
InChIKeyMOWBCMYBMRYNGN-UHFFFAOYSA-N
XLogP2.81
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(carbazol-9-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(carbazol-9-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 46837423) is 5-(carbazol-9-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(carbazol-9-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(carbazol-9-ylmethyl)-1,3,4-oxadiazol-2-amine is Nc1nnc(Cn2c3ccccc3c3ccccc32)o1.
What is the InChIKey of 5-(carbazol-9-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is MOWBCMYBMRYNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c16-15-18-17-14(20-15)9-19-12-7-3-1-5-10(12)11-6-2-4-8-13(11)19/h1-8H,9H2,(H2,16,18).
What are the key properties of 5-(carbazol-9-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-(carbazol-9-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 264.29 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbazol-9-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 46837423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).