5-(3-ethylphenyl)-3H-1,3,4-oxadiazol-2-one

C10H10N2O2 — CID 146425078

IUPAC5-(3-ethylphenyl)-3H-1,3,4-oxadiazol-2-one
SMILESCCc1cccc(-c2n[nH]c(=O)o2)c1
InChIInChI=1S/C10H10N2O2/c1-2-7-4-3-5-8(6-7)9-11-12-10(13)14-9/h3-6H,2H2,1H3,(H,12,13)
InChIKeyRCDNQEHKDVYJAB-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.59
Rot. Bonds2

About 5-(3-ethylphenyl)-3H-1,3,4-oxadiazol-2-one

5-(3-ethylphenyl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 146425078) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 5-(3-ethylphenyl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(3-ethylphenyl)-3H-1,3,4-oxadiazol-2-one
PubChem CID146425078
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name5-(3-ethylphenyl)-3H-1,3,4-oxadiazol-2-one
SMILESCCc1cccc(-c2n[nH]c(=O)o2)c1
InChIInChI=1S/C10H10N2O2/c1-2-7-4-3-5-8(6-7)9-11-12-10(13)14-9/h3-6H,2H2,1H3,(H,12,13)
InChIKeyRCDNQEHKDVYJAB-UHFFFAOYSA-N
XLogP1.59
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-bromophenyl)-3H-1,3,4-oxadiazol-2-one
CID 24874409
5-[3-(tert-butylsulfanyliminomethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
CID 173487861
5-[4-(benzylamino)phenyl]-3H-1,3,4-oxadiazol-2-one
CID 102035420
5-(4-amino-3-phenylmethoxyphenyl)-3H-1,3,4-oxadiazol-2-one
CID 167126250
5-(3-ethylphenyl)-1H-pyrazol-3-amine
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5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-3H-1,3,4-oxadiazol-2-one
CID 146425094
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
1-ethyl-3-phenylbenzene;propane
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5-(3-ethyl-6-methylpyridazin-4-yl)-3H-1,3,4-oxadiazol-2-one
CID 104672911
3-(3-ethylphenyl)-1H-pyridin-2-one
CID 57202866
5-(3-methylimidazo[1,2-a]pyridin-7-yl)-3H-1,3,4-oxadiazol-2-one
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CID 143725407
CID 143725407

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylphenyl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(3-ethylphenyl)-3H-1,3,4-oxadiazol-2-one (CID 146425078) is 5-(3-ethylphenyl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(3-ethylphenyl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(3-ethylphenyl)-3H-1,3,4-oxadiazol-2-one is CCc1cccc(-c2n[nH]c(=O)o2)c1.
What is the InChIKey of 5-(3-ethylphenyl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is RCDNQEHKDVYJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-7-4-3-5-8(6-7)9-11-12-10(13)14-9/h3-6H,2H2,1H3,(H,12,13).
What are the key properties of 5-(3-ethylphenyl)-3H-1,3,4-oxadiazol-2-one?
5-(3-ethylphenyl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 190.20 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylphenyl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 146425078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).