3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-one

C15H9ClF3N3O3 — CID 2727176

IUPAC3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-one
SMILESCOc1cccc(-c2nn(-c3ncc(C(F)(F)F)cc3Cl)c(=O)o2)c1
InChIInChI=1S/C15H9ClF3N3O3/c1-24-10-4-2-3-8(5-10)13-21-22(14(23)25-13)12-11(16)6-9(7-20-12)15(17,18)19/h2-7H,1H3
InChIKeyWRHMBFBRVRBZKP-UHFFFAOYSA-N
MW371.70 g/mol
LogP3.57
Rot. Bonds3

About 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-one

3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-one (PubChem CID 2727176) has the molecular formula C15H9ClF3N3O3 and a molecular weight of 371.70 g/mol. Its IUPAC name is 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-one
PubChem CID2727176
Molecular FormulaC15H9ClF3N3O3
Molecular Weight371.70 g/mol
Exact Mass371.03
IUPAC Name3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-one
SMILESCOc1cccc(-c2nn(-c3ncc(C(F)(F)F)cc3Cl)c(=O)o2)c1
InChIInChI=1S/C15H9ClF3N3O3/c1-24-10-4-2-3-8(5-10)13-21-22(14(23)25-13)12-11(16)6-9(7-20-12)15(17,18)19/h2-7H,1H3
InChIKeyWRHMBFBRVRBZKP-UHFFFAOYSA-N
XLogP3.57
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.70
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-Dichloro-N-[(E)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridin-2-amine
CID 9612496
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2(3H)-one
CID 2727165
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2-(4-methoxybenzyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 5236058
3-chloro-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 9569073
3,5-dichloro-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]pyridin-2-amine
CID 9684254
3-(Trifluoromethyl)phenyl 4-(3-chloropyridin-2-yl)piperazine-1-carboxylate
CID 46879828
2-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-methoxyphenol
CID 135676005
5-(2-Methoxyphenyl)-3-[5-(trifluoromethyl)pyridin-2-yl]-1,3,4-oxadiazol-2(3H)-one
CID 630763
3-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-one
CID 2727184
5-(3-Methoxyphenyl)-3-[4-(trifluoromethyl)pyridin-2-yl]-1,3,4-oxadiazol-2-one
CID 2727202
2-(3,5-dichloro-2-pyridinyl)-5-(2-methoxyphenyl)-4H-pyrazol-3-one
CID 168278548
5-(2-Chlorophenyl)-3-[5-(trifluoromethyl)pyridin-2-yl]-1,3,4-oxadiazol-2(3H)-one
CID 626658

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-one (CID 2727176) is 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-one is COc1cccc(-c2nn(-c3ncc(C(F)(F)F)cc3Cl)c(=O)o2)c1.
What is the InChIKey of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-one?
The InChIKey is WRHMBFBRVRBZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3O3/c1-24-10-4-2-3-8(5-10)13-21-22(14(23)25-13)12-11(16)6-9(7-20-12)15(17,18)19/h2-7H,1H3.
What are the key properties of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-one?
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-one has a molecular weight of 371.70 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 2727176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).