N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpyrrolidin-3-amine

C14H26N4O — CID 63304604

IUPACN-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1nnc(C(C)(C)C)o1)C1CCNC1
InChIInChI=1S/C14H26N4O/c1-5-8-18(11-6-7-15-9-11)10-12-16-17-13(19-12)14(2,3)4/h11,15H,5-10H2,1-4H3
InChIKeyWUIFCVQJEMKKIX-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.94
Rot. Bonds5

About N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpyrrolidin-3-amine

N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpyrrolidin-3-amine (PubChem CID 63304604) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpyrrolidin-3-amine
PubChem CID63304604
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1nnc(C(C)(C)C)o1)C1CCNC1
InChIInChI=1S/C14H26N4O/c1-5-8-18(11-6-7-15-9-11)10-12-16-17-13(19-12)14(2,3)4/h11,15H,5-10H2,1-4H3
InChIKeyWUIFCVQJEMKKIX-UHFFFAOYSA-N
XLogP1.94
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpyrrolidin-3-amine
CID 63304555
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-propylpiperidin-4-amine
CID 60807855
N-propyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 63304349
N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79703559
N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300569
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
methyl 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-cyclopentylamino]propanoate
CID 47081535
N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300786
N-propyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120838258
4-[[propyl(pyrrolidin-3-yl)amino]methyl]benzene-1,2-diol
CID 55204580
N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride
CID 119934792
N-(1,3-benzoxazol-2-ylmethyl)-N-propylpiperidin-3-amine
CID 63637335

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpyrrolidin-3-amine (CID 63304604) is N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpyrrolidin-3-amine is CCCN(Cc1nnc(C(C)(C)C)o1)C1CCNC1.
What is the InChIKey of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpyrrolidin-3-amine?
The InChIKey is WUIFCVQJEMKKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-8-18(11-6-7-15-9-11)10-12-16-17-13(19-12)14(2,3)4/h11,15H,5-10H2,1-4H3.
What are the key properties of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpyrrolidin-3-amine?
N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpyrrolidin-3-amine has a molecular weight of 266.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 63304604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).