(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2-fluorophenyl)cyclopentane-1-carboxylate

C16H17FN2O3 — CID 18147349

IUPAC(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESCc1noc(COC(=O)C2(c3ccccc3F)CCCC2)n1
InChIInChI=1S/C16H17FN2O3/c1-11-18-14(22-19-11)10-21-15(20)16(8-4-5-9-16)12-6-2-3-7-13(12)17/h2-3,6-7H,4-5,8-10H2,1H3
InChIKeyTUNQAYDWGOPHPT-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.07
Rot. Bonds4

About (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2-fluorophenyl)cyclopentane-1-carboxylate

(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 18147349) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID18147349
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESCc1noc(COC(=O)C2(c3ccccc3F)CCCC2)n1
InChIInChI=1S/C16H17FN2O3/c1-11-18-14(22-19-11)10-21-15(20)16(8-4-5-9-16)12-6-2-3-7-13(12)17/h2-3,6-7H,4-5,8-10H2,1H3
InChIKeyTUNQAYDWGOPHPT-UHFFFAOYSA-N
XLogP3.07
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2-fluorophenyl)cyclopentane-1-carboxylate (CID 18147349) is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2-fluorophenyl)cyclopentane-1-carboxylate is Cc1noc(COC(=O)C2(c3ccccc3F)CCCC2)n1.
What is the InChIKey of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is TUNQAYDWGOPHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-11-18-14(22-19-11)10-21-15(20)16(8-4-5-9-16)12-6-2-3-7-13(12)17/h2-3,6-7H,4-5,8-10H2,1H3.
What are the key properties of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 304.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 18147349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).