(5-methyl-1,2,4-oxadiazol-3-yl)-phenylmethanone

C10H8N2O2 — CID 11687022

IUPAC(5-methyl-1,2,4-oxadiazol-3-yl)-phenylmethanone
SMILESCc1nc(C(=O)c2ccccc2)no1
InChIInChI=1S/C10H8N2O2/c1-7-11-10(12-14-7)9(13)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyBJHMEJXJPOBCNY-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.61
Rot. Bonds2

About (5-methyl-1,2,4-oxadiazol-3-yl)-phenylmethanone

(5-methyl-1,2,4-oxadiazol-3-yl)-phenylmethanone (PubChem CID 11687022) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is (5-methyl-1,2,4-oxadiazol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-methyl-1,2,4-oxadiazol-3-yl)-phenylmethanone
PubChem CID11687022
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name(5-methyl-1,2,4-oxadiazol-3-yl)-phenylmethanone
SMILESCc1nc(C(=O)c2ccccc2)no1
InChIInChI=1S/C10H8N2O2/c1-7-11-10(12-14-7)9(13)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyBJHMEJXJPOBCNY-UHFFFAOYSA-N
XLogP1.61
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2,4-oxadiazol-3-yl)-phenylmethanone?
The IUPAC name of (5-methyl-1,2,4-oxadiazol-3-yl)-phenylmethanone (CID 11687022) is (5-methyl-1,2,4-oxadiazol-3-yl)-phenylmethanone.
What is the SMILES notation for (5-methyl-1,2,4-oxadiazol-3-yl)-phenylmethanone?
The canonical SMILES for (5-methyl-1,2,4-oxadiazol-3-yl)-phenylmethanone is Cc1nc(C(=O)c2ccccc2)no1.
What is the InChIKey of (5-methyl-1,2,4-oxadiazol-3-yl)-phenylmethanone?
The InChIKey is BJHMEJXJPOBCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-7-11-10(12-14-7)9(13)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of (5-methyl-1,2,4-oxadiazol-3-yl)-phenylmethanone?
(5-methyl-1,2,4-oxadiazol-3-yl)-phenylmethanone has a molecular weight of 188.19 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2,4-oxadiazol-3-yl)-phenylmethanone is sourced from PubChem (CID 11687022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).