5-butyl-3-(3,5-dichloro-6-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-one

C11H10Cl2FN3O2 — CID 138634033

IUPAC5-butyl-3-(3,5-dichloro-6-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-one
SMILESCCCCc1nn(-c2nc(F)c(Cl)cc2Cl)c(=O)o1
InChIInChI=1S/C11H10Cl2FN3O2/c1-2-3-4-8-16-17(11(18)19-8)10-7(13)5-6(12)9(14)15-10/h5H,2-4H2,1H3
InChIKeyFMZOGQRCNPBIJC-UHFFFAOYSA-N
MW306.12 g/mol
LogP3.01
Rot. Bonds4

About 5-butyl-3-(3,5-dichloro-6-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-one

5-butyl-3-(3,5-dichloro-6-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-one (PubChem CID 138634033) has the molecular formula C11H10Cl2FN3O2 and a molecular weight of 306.12 g/mol. Its IUPAC name is 5-butyl-3-(3,5-dichloro-6-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-butyl-3-(3,5-dichloro-6-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-one
PubChem CID138634033
Molecular FormulaC11H10Cl2FN3O2
Molecular Weight306.12 g/mol
Exact Mass305.01
IUPAC Name5-butyl-3-(3,5-dichloro-6-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-one
SMILESCCCCc1nn(-c2nc(F)c(Cl)cc2Cl)c(=O)o1
InChIInChI=1S/C11H10Cl2FN3O2/c1-2-3-4-8-16-17(11(18)19-8)10-7(13)5-6(12)9(14)15-10/h5H,2-4H2,1H3
InChIKeyFMZOGQRCNPBIJC-UHFFFAOYSA-N
XLogP3.01
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-Tert-butyl-3-(3,5-dichloro-6-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-one
CID 12460543
5-(tert-butyl)-3-(6-fluoropyridin-2-yl)-3H-[1,3,4]oxadiazol-2-one
CID 68856325
2-(5-chloro-3,6-difluoro-2-pyridinyl)-5-methyl-4H-1,2,4-triazol-3-one
CID 138634039
2-(5-Chloro-3,6-difluoropyridin-2-yl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one
CID 138634043
propan-2-yl N-(3,5-dichloro-6-fluoro-2-pyridinyl)-N-(2,2-dimethylpropanoylamino)carbamate
CID 12460547
2-[3,5-dichloro-6-(dimethylamino)-2-pyridinyl]-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 134093210
5-(Difluoromethyl)-4-methyl-2-(3,5,6-trichloro-2-pyridinyl)-1,2,4-triazol-3-one
CID 134100066
5-Methyl-2-(3,5,6-trichloro-2-pyridinyl)-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-one
CID 134104714
4-Methyl-2-(3,5,6-trichloro-2-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 134120034
tert-butyl N-(5-chloro-3,6-difluoropyridin-2-yl)carbamate
CID 165916147
tert-butyl N-(3-chloro-6-fluoropyridin-2-yl)carbamate
CID 165943150
ethyl N-(5-chloro-3,6-difluoro-2-pyridinyl)carbamate
CID 171666504

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(3,5-dichloro-6-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-butyl-3-(3,5-dichloro-6-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-one (CID 138634033) is 5-butyl-3-(3,5-dichloro-6-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-butyl-3-(3,5-dichloro-6-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-butyl-3-(3,5-dichloro-6-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-one is CCCCc1nn(-c2nc(F)c(Cl)cc2Cl)c(=O)o1.
What is the InChIKey of 5-butyl-3-(3,5-dichloro-6-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-one?
The InChIKey is FMZOGQRCNPBIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2FN3O2/c1-2-3-4-8-16-17(11(18)19-8)10-7(13)5-6(12)9(14)15-10/h5H,2-4H2,1H3.
What are the key properties of 5-butyl-3-(3,5-dichloro-6-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-one?
5-butyl-3-(3,5-dichloro-6-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-one has a molecular weight of 306.12 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(3,5-dichloro-6-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 138634033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).