N-(3-ethoxypropyl)-3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide

C17H23N5O3 — CID 91915211

IUPACN-(3-ethoxypropyl)-3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
SMILESCCOCCCNC(=O)N1CCC(c2noc(-c3ccncc3)n2)C1
InChIInChI=1S/C17H23N5O3/c1-2-24-11-3-7-19-17(23)22-10-6-14(12-22)15-20-16(25-21-15)13-4-8-18-9-5-13/h4-5,8-9,14H,2-3,6-7,10-12H2,1H3,(H,19,23)
InChIKeyBCILHFZQRIECDU-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.06
Rot. Bonds7

About N-(3-ethoxypropyl)-3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide

N-(3-ethoxypropyl)-3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 91915211) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID91915211
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-(3-ethoxypropyl)-3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
SMILESCCOCCCNC(=O)N1CCC(c2noc(-c3ccncc3)n2)C1
InChIInChI=1S/C17H23N5O3/c1-2-24-11-3-7-19-17(23)22-10-6-14(12-22)15-20-16(25-21-15)13-4-8-18-9-5-13/h4-5,8-9,14H,2-3,6-7,10-12H2,1H3,(H,19,23)
InChIKeyBCILHFZQRIECDU-UHFFFAOYSA-N
XLogP2.06
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide (CID 91915211) is N-(3-ethoxypropyl)-3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide is CCOCCCNC(=O)N1CCC(c2noc(-c3ccncc3)n2)C1.
What is the InChIKey of N-(3-ethoxypropyl)-3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is BCILHFZQRIECDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-2-24-11-3-7-19-17(23)22-10-6-14(12-22)15-20-16(25-21-15)13-4-8-18-9-5-13/h4-5,8-9,14H,2-3,6-7,10-12H2,1H3,(H,19,23).
What are the key properties of N-(3-ethoxypropyl)-3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide?
N-(3-ethoxypropyl)-3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 91915211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).