N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine

C16H21FN4O — CID 97194615

IUPACN-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NC[C@@H]2CCN(c3ccccc3F)C2)o1
InChIInChI=1S/C16H21FN4O/c1-2-5-15-19-20-16(22-15)18-10-12-8-9-21(11-12)14-7-4-3-6-13(14)17/h3-4,6-7,12H,2,5,8-11H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyOCNQSPUUHKKMFR-LBPRGKRZSA-N
MW304.37 g/mol
LogP3.10
Rot. Bonds6

About N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine

N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine (PubChem CID 97194615) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine
PubChem CID97194615
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC NameN-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NC[C@@H]2CCN(c3ccccc3F)C2)o1
InChIInChI=1S/C16H21FN4O/c1-2-5-15-19-20-16(22-15)18-10-12-8-9-21(11-12)14-7-4-3-6-13(14)17/h3-4,6-7,12H,2,5,8-11H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyOCNQSPUUHKKMFR-LBPRGKRZSA-N
XLogP3.10
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792763
N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 125143348
1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62513124
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-3-hydroxypropanamide
CID 91790346
N-ethyl-1-(2-fluorophenyl)piperidin-4-amine
CID 43315313
1-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122014966
5-(2-aminoethyl)-N-[(4-ethylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106959682
2-[5-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 106969607
4-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]butanoic acid
CID 122014965
N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 97133567
1-cyclobutyl-2-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]guanidine
CID 122096224
N-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792876

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine (CID 97194615) is N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine is CCCc1nnc(NC[C@@H]2CCN(c3ccccc3F)C2)o1.
What is the InChIKey of N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The InChIKey is OCNQSPUUHKKMFR-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-2-5-15-19-20-16(22-15)18-10-12-8-9-21(11-12)14-7-4-3-6-13(14)17/h3-4,6-7,12H,2,5,8-11H2,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine has a molecular weight of 304.37 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 97194615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).