5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride

C7H11ClFN3O — CID 131223525

IUPAC5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride
SMILESCc1noc([C@H]2C[C@H](F)CN2)n1.Cl
InChIInChI=1S/C7H10FN3O.ClH/c1-4-10-7(12-11-4)6-2-5(8)3-9-6;/h5-6,9H,2-3H2,1H3;1H/t5-,6+;/m0./s1
InChIKeyOLMFAJRMHNGFOZ-RIHPBJNCSA-N
MW207.64 g/mol
LogP1.17
Rot. Bonds1

About 5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride

5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride (PubChem CID 131223525) has the molecular formula C7H11ClFN3O and a molecular weight of 207.64 g/mol. Its IUPAC name is 5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride
PubChem CID131223525
Molecular FormulaC7H11ClFN3O
Molecular Weight207.64 g/mol
Exact Mass207.06
IUPAC Name5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride
SMILESCc1noc([C@H]2C[C@H](F)CN2)n1.Cl
InChIInChI=1S/C7H10FN3O.ClH/c1-4-10-7(12-11-4)6-2-5(8)3-9-6;/h5-6,9H,2-3H2,1H3;1H/t5-,6+;/m0./s1
InChIKeyOLMFAJRMHNGFOZ-RIHPBJNCSA-N
XLogP1.17
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.64
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride
CID 86775507
3-cyclopropyl-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 69197928
5-[(2R,4S)-4-ethoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 130608452
5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 120835468
3-(5-bromofuran-2-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole
CID 120842152
5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 129493220
5-(4-fluoropyrrolidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 121199950
5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 129493088
5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 129493089
3-methyl-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole
CID 112707841
5-[(1S,4R,6R)-2-azabicyclo[2.2.2]octan-6-yl]-3-methyl-1,2,4-oxadiazole
CID 14742580
3-[(3-fluorophenyl)methyl]-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole
CID 120893888

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride (CID 131223525) is 5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride is Cc1noc([C@H]2C[C@H](F)CN2)n1.Cl.
What is the InChIKey of 5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is OLMFAJRMHNGFOZ-RIHPBJNCSA-N. The full InChI is InChI=1S/C7H10FN3O.ClH/c1-4-10-7(12-11-4)6-2-5(8)3-9-6;/h5-6,9H,2-3H2,1H3;1H/t5-,6+;/m0./s1.
What are the key properties of 5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride?
5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 207.64 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 131223525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).