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

C12H12N2O2 — CID 150310440

IUPAC5-(4-cyclopropyl-3-methylphenyl)-3H-1,3,4-oxadiazol-2-one
SMILESCc1cc(-c2n[nH]c(=O)o2)ccc1C1CC1
InChIInChI=1S/C12H12N2O2/c1-7-6-9(11-13-14-12(15)16-11)4-5-10(7)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,14,15)
InChIKeyGLMPUSMXQWDSOK-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.22
Rot. Bonds2

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

5-(4-cyclopropyl-3-methylphenyl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 150310440) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-(4-cyclopropyl-3-methylphenyl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-cyclopropyl-3-methylphenyl)-3H-1,3,4-oxadiazol-2-one
PubChem CID150310440
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-(4-cyclopropyl-3-methylphenyl)-3H-1,3,4-oxadiazol-2-one
SMILESCc1cc(-c2n[nH]c(=O)o2)ccc1C1CC1
InChIInChI=1S/C12H12N2O2/c1-7-6-9(11-13-14-12(15)16-11)4-5-10(7)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,14,15)
InChIKeyGLMPUSMXQWDSOK-UHFFFAOYSA-N
XLogP2.22
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenyl-1,3,4-oxadiazol-2-IN-5-one
CID 352208
5-(4-Methylphenyl)-1,3,4-oxadiazol-2(3H)-one
CID 12777256
5-(4-isopropylphenyl)-1,3,4-oxadiazol-2(3H)-one
CID 312920
5-(4-Tert-butylphenyl)-1,3,4-oxadiazol-2-ol
CID 858350
5-(4-(Trifluoromethyl)phenyl)-1,3,4-oxadiazol-2(3H)-one
CID 15462811
5-(4-Ethylphenyl)-1,3,4-oxadiazol-2-ol
CID 64147246
5-[2-(Trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-ol
CID 64193808
5-[3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
CID 64194180
5-(3-Ethylphenyl)-1,3,4-oxadiazol-2-ol
CID 146425078
5-(3-Cyclopropylphenyl)-1,3,4-oxadiazol-2-ol
CID 146437790
5-(4-Cyclopropylphenyl)-1,3,4-oxadiazol-2-ol
CID 150725029
5-(2-methylphenyl)-3H-1,3,4-oxadiazol-2-one
CID 833670

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropyl-3-methylphenyl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-cyclopropyl-3-methylphenyl)-3H-1,3,4-oxadiazol-2-one (CID 150310440) is 5-(4-cyclopropyl-3-methylphenyl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-cyclopropyl-3-methylphenyl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-cyclopropyl-3-methylphenyl)-3H-1,3,4-oxadiazol-2-one is Cc1cc(-c2n[nH]c(=O)o2)ccc1C1CC1.
What is the InChIKey of 5-(4-cyclopropyl-3-methylphenyl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is GLMPUSMXQWDSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7-6-9(11-13-14-12(15)16-11)4-5-10(7)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,14,15).
What are the key properties of 5-(4-cyclopropyl-3-methylphenyl)-3H-1,3,4-oxadiazol-2-one?
5-(4-cyclopropyl-3-methylphenyl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 216.24 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropyl-3-methylphenyl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 150310440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).