5-[1-[(3,5-difluorophenyl)methyl]pyrrol-2-yl]-3-methyl-1,2,4-oxadiazole

C14H11F2N3O — CID 53015273

IUPAC5-[1-[(3,5-difluorophenyl)methyl]pyrrol-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2cccn2Cc2cc(F)cc(F)c2)n1
InChIInChI=1S/C14H11F2N3O/c1-9-17-14(20-18-9)13-3-2-4-19(13)8-10-5-11(15)7-12(16)6-10/h2-7H,8H2,1H3
InChIKeyPVFCIAFCNXHNDN-UHFFFAOYSA-N
MW275.26 g/mol
LogP3.17
Rot. Bonds3

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

5-[1-[(3,5-difluorophenyl)methyl]pyrrol-2-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 53015273) has the molecular formula C14H11F2N3O and a molecular weight of 275.26 g/mol. Its IUPAC name is 5-[1-[(3,5-difluorophenyl)methyl]pyrrol-2-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(3,5-difluorophenyl)methyl]pyrrol-2-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID53015273
Molecular FormulaC14H11F2N3O
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name5-[1-[(3,5-difluorophenyl)methyl]pyrrol-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2cccn2Cc2cc(F)cc(F)c2)n1
InChIInChI=1S/C14H11F2N3O/c1-9-17-14(20-18-9)13-3-2-4-19(13)8-10-5-11(15)7-12(16)6-10/h2-7H,8H2,1H3
InChIKeyPVFCIAFCNXHNDN-UHFFFAOYSA-N
XLogP3.17
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3,5-difluorophenyl)methyl]pyrrol-2-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(3,5-difluorophenyl)methyl]pyrrol-2-yl]-3-methyl-1,2,4-oxadiazole (CID 53015273) is 5-[1-[(3,5-difluorophenyl)methyl]pyrrol-2-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(3,5-difluorophenyl)methyl]pyrrol-2-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(3,5-difluorophenyl)methyl]pyrrol-2-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2cccn2Cc2cc(F)cc(F)c2)n1.
What is the InChIKey of 5-[1-[(3,5-difluorophenyl)methyl]pyrrol-2-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is PVFCIAFCNXHNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O/c1-9-17-14(20-18-9)13-3-2-4-19(13)8-10-5-11(15)7-12(16)6-10/h2-7H,8H2,1H3.
What are the key properties of 5-[1-[(3,5-difluorophenyl)methyl]pyrrol-2-yl]-3-methyl-1,2,4-oxadiazole?
5-[1-[(3,5-difluorophenyl)methyl]pyrrol-2-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 275.26 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3,5-difluorophenyl)methyl]pyrrol-2-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 53015273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).