3-[2-(5-amino-1,3,4-oxadiazol-2-yl)anilino]propane-1,2-diol

C11H14N4O3 — CID 168597031

IUPAC3-[2-(5-amino-1,3,4-oxadiazol-2-yl)anilino]propane-1,2-diol
SMILESNc1nnc(-c2ccccc2NCC(O)CO)o1
InChIInChI=1S/C11H14N4O3/c12-11-15-14-10(18-11)8-3-1-2-4-9(8)13-5-7(17)6-16/h1-4,7,13,16-17H,5-6H2,(H2,12,15)
InChIKeyCQKZYNVZNCEFLV-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.08
Rot. Bonds5

About 3-[2-(5-amino-1,3,4-oxadiazol-2-yl)anilino]propane-1,2-diol

3-[2-(5-amino-1,3,4-oxadiazol-2-yl)anilino]propane-1,2-diol (PubChem CID 168597031) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-[2-(5-amino-1,3,4-oxadiazol-2-yl)anilino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(5-amino-1,3,4-oxadiazol-2-yl)anilino]propane-1,2-diol
PubChem CID168597031
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name3-[2-(5-amino-1,3,4-oxadiazol-2-yl)anilino]propane-1,2-diol
SMILESNc1nnc(-c2ccccc2NCC(O)CO)o1
InChIInChI=1S/C11H14N4O3/c12-11-15-14-10(18-11)8-3-1-2-4-9(8)13-5-7(17)6-16/h1-4,7,13,16-17H,5-6H2,(H2,12,15)
InChIKeyCQKZYNVZNCEFLV-UHFFFAOYSA-N
XLogP0.08
TPSA117.43 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]propane-1,2-diol
CID 168593514
3-[2-(3-methylphenyl)anilino]propane-1,2-diol
CID 168593271
4-[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]benzonitrile
CID 168641046
3-(naphthalen-1-ylamino)propane-1,2-diol
CID 3017963
N-(2-methylbutyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 43675457
3-[4-amino-2-(2,4-diaminophenyl)anilino]propane-1,2-diol
CID 18371380
1-[(3-amino-2-hydroxypropyl)amino]-4-(2,3-dihydroxypropylamino)anthracene-9,10-dione
CID 135182838
N-[2-(2,3-dihydroxypropylamino)phenyl]acetamide
CID 168596792
3-(2-pyrimidin-2-ylsulfanylanilino)propane-1,2-diol
CID 168596269
3-(4-amino-2-thiophen-2-ylanilino)propane-1,2-diol;dihydrochloride
CID 18799049
1-(2,3-dihydroxypropylamino)-4-(2-hydroxyethylamino)anthracene-9,10-dione
CID 19751123
3-[2-(5-chloro-1H-pyrrolo[3,2-b]pyridin-2-yl)anilino]propane-1,2-diol
CID 168593660

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-amino-1,3,4-oxadiazol-2-yl)anilino]propane-1,2-diol?
The IUPAC name of 3-[2-(5-amino-1,3,4-oxadiazol-2-yl)anilino]propane-1,2-diol (CID 168597031) is 3-[2-(5-amino-1,3,4-oxadiazol-2-yl)anilino]propane-1,2-diol.
What is the SMILES notation for 3-[2-(5-amino-1,3,4-oxadiazol-2-yl)anilino]propane-1,2-diol?
The canonical SMILES for 3-[2-(5-amino-1,3,4-oxadiazol-2-yl)anilino]propane-1,2-diol is Nc1nnc(-c2ccccc2NCC(O)CO)o1.
What is the InChIKey of 3-[2-(5-amino-1,3,4-oxadiazol-2-yl)anilino]propane-1,2-diol?
The InChIKey is CQKZYNVZNCEFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-11-15-14-10(18-11)8-3-1-2-4-9(8)13-5-7(17)6-16/h1-4,7,13,16-17H,5-6H2,(H2,12,15).
What are the key properties of 3-[2-(5-amino-1,3,4-oxadiazol-2-yl)anilino]propane-1,2-diol?
3-[2-(5-amino-1,3,4-oxadiazol-2-yl)anilino]propane-1,2-diol has a molecular weight of 250.26 g/mol, XLogP of 0.08, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-amino-1,3,4-oxadiazol-2-yl)anilino]propane-1,2-diol is sourced from PubChem (CID 168597031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).