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

C10H8N2O2 — CID 13415356

IUPAC(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethanone
SMILESCc1nonc1C(=O)c1ccccc1
InChIInChI=1S/C10H8N2O2/c1-7-9(12-14-11-7)10(13)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyPQLLQNBEEQNDCB-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.61
Rot. Bonds2

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

(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethanone (PubChem CID 13415356) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is (4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethanone
PubChem CID13415356
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethanone
SMILESCc1nonc1C(=O)c1ccccc1
InChIInChI=1S/C10H8N2O2/c1-7-9(12-14-11-7)10(13)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyPQLLQNBEEQNDCB-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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Related Compounds

(4-fluorophenyl)-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
CID 139878976
(Z)-3-hydroxy-2-(4-methyl-1,2,5-oxadiazole-3-carboximidoyl)-1,3-diphenylprop-2-en-1-one
CID 135700385
N-benzyl-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
CID 110691862
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
diphenylmethanone;ethane
CID 158014879
ethyl 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate
CID 102300604
diphenylmethanone
CID 3102
4-methyl-N-pyridin-2-yl-1,2,5-oxadiazole-3-carboxamide
CID 110692016
[3-methyl-5-(methylamino)-1,2-oxazol-4-yl]-phenylmethanone
CID 121001224
(3-methyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-phenylmethanone
CID 619716
(4-benzoylphthalazin-1-yl)-phenylmethanone
CID 21134746
[3,6-dimethyl-5-(trifluoromethyl)pyrazin-2-yl]-phenylmethanone
CID 174991278

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethanone?
The IUPAC name of (4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethanone (CID 13415356) is (4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethanone.
What is the SMILES notation for (4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethanone?
The canonical SMILES for (4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethanone is Cc1nonc1C(=O)c1ccccc1.
What is the InChIKey of (4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethanone?
The InChIKey is PQLLQNBEEQNDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-7-9(12-14-11-7)10(13)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of (4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethanone?
(4-methyl-1,2,5-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 (4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethanone is sourced from PubChem (CID 13415356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).