1-(5-phenyl-1,3,4-oxadiazol-2-yl)propane-1,2-diamine

C11H14N4O — CID 67031947

IUPAC1-(5-phenyl-1,3,4-oxadiazol-2-yl)propane-1,2-diamine
SMILESCC(N)C(N)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C11H14N4O/c1-7(12)9(13)11-15-14-10(16-11)8-5-3-2-4-6-8/h2-7,9H,12-13H2,1H3
InChIKeyZXIDUXYSGGNNKI-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.08
Rot. Bonds3

About 1-(5-phenyl-1,3,4-oxadiazol-2-yl)propane-1,2-diamine

1-(5-phenyl-1,3,4-oxadiazol-2-yl)propane-1,2-diamine (PubChem CID 67031947) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(5-phenyl-1,3,4-oxadiazol-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-(5-phenyl-1,3,4-oxadiazol-2-yl)propane-1,2-diamine
PubChem CID67031947
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-(5-phenyl-1,3,4-oxadiazol-2-yl)propane-1,2-diamine
SMILESCC(N)C(N)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C11H14N4O/c1-7(12)9(13)11-15-14-10(16-11)8-5-3-2-4-6-8/h2-7,9H,12-13H2,1H3
InChIKeyZXIDUXYSGGNNKI-UHFFFAOYSA-N
XLogP1.08
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methoxyethyl)-5-phenyl-1,3,4-oxadiazole
CID 118528215
2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole
CID 71004200
(1S)-2-amino-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-ol
CID 70130064
1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-2-amine
CID 84671547
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
(1R)-1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 42046788
2-[1-(2-methoxyphenyl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 60593890
(1R)-1-(4-fluorophenyl)-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 94015415
2-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole
CID 24633519
1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride
CID 71692413
2-(4-fluorophenyl)-5-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7628166

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)propane-1,2-diamine?
The IUPAC name of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)propane-1,2-diamine (CID 67031947) is 1-(5-phenyl-1,3,4-oxadiazol-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)propane-1,2-diamine is CC(N)C(N)c1nnc(-c2ccccc2)o1.
What is the InChIKey of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)propane-1,2-diamine?
The InChIKey is ZXIDUXYSGGNNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7(12)9(13)11-15-14-10(16-11)8-5-3-2-4-6-8/h2-7,9H,12-13H2,1H3.
What are the key properties of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)propane-1,2-diamine?
1-(5-phenyl-1,3,4-oxadiazol-2-yl)propane-1,2-diamine has a molecular weight of 218.26 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)propane-1,2-diamine is sourced from PubChem (CID 67031947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).