[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol

C13H11N3O3 — CID 58833256

IUPAC[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol
SMILESCc1onc(-c2ccccc2)c1-c1nc(CO)no1
InChIInChI=1S/C13H11N3O3/c1-8-11(13-14-10(7-17)15-19-13)12(16-18-8)9-5-3-2-4-6-9/h2-6,17H,7H2,1H3
InChIKeyBVXYOAQIQXYFQD-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.19
Rot. Bonds3

About [5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol

[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 58833256) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is [5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID58833256
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol
SMILESCc1onc(-c2ccccc2)c1-c1nc(CO)no1
InChIInChI=1S/C13H11N3O3/c1-8-11(13-14-10(7-17)15-19-13)12(16-18-8)9-5-3-2-4-6-9/h2-6,17H,7H2,1H3
InChIKeyBVXYOAQIQXYFQD-UHFFFAOYSA-N
XLogP2.19
TPSA85.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 2798442
1-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851440
[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660381
4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid
CID 58833412
5-methyl-3-phenyl-4-quinolin-2-yl-1,2-oxazole
CID 22081680
2-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 119050714
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl acetate
CID 29170255
[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]methanesulfinic acid
CID 167387476
[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]methanol
CID 70098851
4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
CID 2776147
2-[2-fluoro-5-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]anilino]ethanol
CID 67215096

Frequently Asked Questions

What is the IUPAC name of [5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol (CID 58833256) is [5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol is Cc1onc(-c2ccccc2)c1-c1nc(CO)no1.
What is the InChIKey of [5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is BVXYOAQIQXYFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-8-11(13-14-10(7-17)15-19-13)12(16-18-8)9-5-3-2-4-6-9/h2-6,17H,7H2,1H3.
What are the key properties of [5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 257.25 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 58833256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).