(5-amino-1,2,4-oxadiazol-3-yl)-(4-methylphenyl)methanol

C10H11N3O2 — CID 3040212

IUPAC(5-amino-1,2,4-oxadiazol-3-yl)-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2noc(N)n2)cc1
InChIInChI=1S/C10H11N3O2/c1-6-2-4-7(5-3-6)8(14)9-12-10(11)15-13-9/h2-5,8,14H,1H3,(H2,11,12,13)
InChIKeyXCOICCUJRDNBOZ-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.04
Rot. Bonds2

About (5-amino-1,2,4-oxadiazol-3-yl)-(4-methylphenyl)methanol

(5-amino-1,2,4-oxadiazol-3-yl)-(4-methylphenyl)methanol (PubChem CID 3040212) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is (5-amino-1,2,4-oxadiazol-3-yl)-(4-methylphenyl)methanol.

Molecular Properties

Compound Name(5-amino-1,2,4-oxadiazol-3-yl)-(4-methylphenyl)methanol
PubChem CID3040212
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name(5-amino-1,2,4-oxadiazol-3-yl)-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2noc(N)n2)cc1
InChIInChI=1S/C10H11N3O2/c1-6-2-4-7(5-3-6)8(14)9-12-10(11)15-13-9/h2-5,8,14H,1H3,(H2,11,12,13)
InChIKeyXCOICCUJRDNBOZ-UHFFFAOYSA-N
XLogP1.04
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1,2,4-oxadiazol-3-yl)-(4-methylphenyl)methanol?
The IUPAC name of (5-amino-1,2,4-oxadiazol-3-yl)-(4-methylphenyl)methanol (CID 3040212) is (5-amino-1,2,4-oxadiazol-3-yl)-(4-methylphenyl)methanol.
What is the SMILES notation for (5-amino-1,2,4-oxadiazol-3-yl)-(4-methylphenyl)methanol?
The canonical SMILES for (5-amino-1,2,4-oxadiazol-3-yl)-(4-methylphenyl)methanol is Cc1ccc(C(O)c2noc(N)n2)cc1.
What is the InChIKey of (5-amino-1,2,4-oxadiazol-3-yl)-(4-methylphenyl)methanol?
The InChIKey is XCOICCUJRDNBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-6-2-4-7(5-3-6)8(14)9-12-10(11)15-13-9/h2-5,8,14H,1H3,(H2,11,12,13).
What are the key properties of (5-amino-1,2,4-oxadiazol-3-yl)-(4-methylphenyl)methanol?
(5-amino-1,2,4-oxadiazol-3-yl)-(4-methylphenyl)methanol has a molecular weight of 205.22 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,2,4-oxadiazol-3-yl)-(4-methylphenyl)methanol is sourced from PubChem (CID 3040212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).