N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine

C21H25N5O — CID 137338659

IUPACN-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCc1ccccc1C1CCN(CCNc2nnc(Cc3ccncc3)o2)C1
InChIInChI=1S/C21H25N5O/c1-16-4-2-3-5-19(16)18-8-12-26(15-18)13-11-23-21-25-24-20(27-21)14-17-6-9-22-10-7-17/h2-7,9-10,18H,8,11-15H2,1H3,(H,23,25)
InChIKeyBGJFUJGOECJFGB-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.27
Rot. Bonds7

About N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine

N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 137338659) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID137338659
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCc1ccccc1C1CCN(CCNc2nnc(Cc3ccncc3)o2)C1
InChIInChI=1S/C21H25N5O/c1-16-4-2-3-5-19(16)18-8-12-26(15-18)13-11-23-21-25-24-20(27-21)14-17-6-9-22-10-7-17/h2-7,9-10,18H,8,11-15H2,1H3,(H,23,25)
InChIKeyBGJFUJGOECJFGB-UHFFFAOYSA-N
XLogP3.27
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 137338659) is N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine is Cc1ccccc1C1CCN(CCNc2nnc(Cc3ccncc3)o2)C1.
What is the InChIKey of N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is BGJFUJGOECJFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-16-4-2-3-5-19(16)18-8-12-26(15-18)13-11-23-21-25-24-20(27-21)14-17-6-9-22-10-7-17/h2-7,9-10,18H,8,11-15H2,1H3,(H,23,25).
What are the key properties of N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 363.47 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 137338659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).