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

C13H11N3O2 — CID 141297223

IUPAC2-[(3-methyl-1,2-oxazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1nocc1Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C13H11N3O2/c1-9-11(8-17-16-9)7-12-14-15-13(18-12)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyLGXNFGZODHYCQX-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.62
Rot. Bonds3

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

2-[(3-methyl-1,2-oxazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 141297223) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[(3-methyl-1,2-oxazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-methyl-1,2-oxazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID141297223
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name2-[(3-methyl-1,2-oxazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1nocc1Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C13H11N3O2/c1-9-11(8-17-16-9)7-12-14-15-13(18-12)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyLGXNFGZODHYCQX-UHFFFAOYSA-N
XLogP2.62
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
2-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 66579316
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2-oxazol-5-yl]phenyl]benzoic acid
CID 148935050
2-(3-methylphenyl)-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole
CID 53153559
ethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 178170665
1-(3-methyl-1,2-oxazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 62133800
1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 18870633
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
1-(6-methyl-3-pyridinyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 62995674
1-(3-methyl-2-pyridinyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 63305449
1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-2-amine
CID 84671547

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2-oxazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-methyl-1,2-oxazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazole (CID 141297223) is 2-[(3-methyl-1,2-oxazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-methyl-1,2-oxazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-methyl-1,2-oxazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazole is Cc1nocc1Cc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-[(3-methyl-1,2-oxazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is LGXNFGZODHYCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-9-11(8-17-16-9)7-12-14-15-13(18-12)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3.
What are the key properties of 2-[(3-methyl-1,2-oxazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
2-[(3-methyl-1,2-oxazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 241.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2-oxazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 141297223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).