3-[1-(2,4-difluorophenyl)cyclopentyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole

C19H19F2N3O2 — CID 139002635

IUPAC3-[1-(2,4-difluorophenyl)cyclopentyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole
SMILESCc1noc(C)c1Cc1nc(C2(c3ccc(F)cc3F)CCCC2)no1
InChIInChI=1S/C19H19F2N3O2/c1-11-14(12(2)25-23-11)10-17-22-18(24-26-17)19(7-3-4-8-19)15-6-5-13(20)9-16(15)21/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyDFRWCDRBVDKYMF-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.40
Rot. Bonds4

About 3-[1-(2,4-difluorophenyl)cyclopentyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole

3-[1-(2,4-difluorophenyl)cyclopentyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 139002635) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is 3-[1-(2,4-difluorophenyl)cyclopentyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(2,4-difluorophenyl)cyclopentyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID139002635
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name3-[1-(2,4-difluorophenyl)cyclopentyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole
SMILESCc1noc(C)c1Cc1nc(C2(c3ccc(F)cc3F)CCCC2)no1
InChIInChI=1S/C19H19F2N3O2/c1-11-14(12(2)25-23-11)10-17-22-18(24-26-17)19(7-3-4-8-19)15-6-5-13(20)9-16(15)21/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyDFRWCDRBVDKYMF-UHFFFAOYSA-N
XLogP4.40
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-difluorophenyl)cyclopentyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(2,4-difluorophenyl)cyclopentyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole (CID 139002635) is 3-[1-(2,4-difluorophenyl)cyclopentyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(2,4-difluorophenyl)cyclopentyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(2,4-difluorophenyl)cyclopentyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole is Cc1noc(C)c1Cc1nc(C2(c3ccc(F)cc3F)CCCC2)no1.
What is the InChIKey of 3-[1-(2,4-difluorophenyl)cyclopentyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is DFRWCDRBVDKYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c1-11-14(12(2)25-23-11)10-17-22-18(24-26-17)19(7-3-4-8-19)15-6-5-13(20)9-16(15)21/h5-6,9H,3-4,7-8,10H2,1-2H3.
What are the key properties of 3-[1-(2,4-difluorophenyl)cyclopentyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole?
3-[1-(2,4-difluorophenyl)cyclopentyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 359.38 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-difluorophenyl)cyclopentyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 139002635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).