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

C14H18N4O — CID 97149374

IUPACN-[(3S)-1-benzylpyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(N[C@H]2CCN(Cc3ccccc3)C2)o1
InChIInChI=1S/C14H18N4O/c1-11-16-17-14(19-11)15-13-7-8-18(10-13)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,15,17)/t13-/m0/s1
InChIKeyLEBGRRWETMPMCA-ZDUSSCGKSA-N
MW258.32 g/mol
LogP2.06
Rot. Bonds4

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

N-[(3S)-1-benzylpyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 97149374) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(3S)-1-benzylpyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(3S)-1-benzylpyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazol-2-amine
PubChem CID97149374
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[(3S)-1-benzylpyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(N[C@H]2CCN(Cc3ccccc3)C2)o1
InChIInChI=1S/C14H18N4O/c1-11-16-17-14(19-11)15-13-7-8-18(10-13)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,15,17)/t13-/m0/s1
InChIKeyLEBGRRWETMPMCA-ZDUSSCGKSA-N
XLogP2.06
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 72893335
1-(3,4-difluorobenzyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-amine
CID 72908302
5-tert-butyl-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 75446178
N-[(3-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 84596433
N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 118740620
(3S)-N-benzyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3-carboxamide
CID 164633054
N-[(3R,4S)-3-benzyl-1-methylpiperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine
CID 164639420
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-(4-fluorobenzyl)piperidin-3-amine
CID 72876035
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 72909336
1-(3,5-difluorobenzyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-amine
CID 72912725
5-tert-butyl-N-(3-fluorobenzyl)-1,3,4-oxadiazol-2-amine
CID 72917356
N-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 84596432

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazol-2-amine (CID 97149374) is N-[(3S)-1-benzylpyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(3S)-1-benzylpyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(3S)-1-benzylpyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazol-2-amine is Cc1nnc(N[C@H]2CCN(Cc3ccccc3)C2)o1.
What is the InChIKey of N-[(3S)-1-benzylpyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is LEBGRRWETMPMCA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11-16-17-14(19-11)15-13-7-8-18(10-13)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,15,17)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-benzylpyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazol-2-amine?
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 258.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzylpyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 97149374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).