4-amino-N-(3-pyrrolidin-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide

C13H15N5O2 — CID 62688150

IUPAC4-amino-N-(3-pyrrolidin-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C13H15N5O2/c14-12-11(16-20-17-12)13(19)15-9-4-3-5-10(8-9)18-6-1-2-7-18/h3-5,8H,1-2,6-7H2,(H2,14,17)(H,15,19)
InChIKeyAOLBPCZOQVRVBM-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.50
Rot. Bonds3

About 4-amino-N-(3-pyrrolidin-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(3-pyrrolidin-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62688150) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-amino-N-(3-pyrrolidin-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-pyrrolidin-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID62688150
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name4-amino-N-(3-pyrrolidin-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C13H15N5O2/c14-12-11(16-20-17-12)13(19)15-9-4-3-5-10(8-9)18-6-1-2-7-18/h3-5,8H,1-2,6-7H2,(H2,14,17)(H,15,19)
InChIKeyAOLBPCZOQVRVBM-UHFFFAOYSA-N
XLogP1.50
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(3-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 55103910
4-amino-N-[3-(2-methoxyethoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688696
2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
CID 119892163
2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 28987913
1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119857471
4-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688500
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 66462445
2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 166198478
3-cyclobutyl-N-(3-piperidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
CID 167926953
methyl N-(3-piperidin-1-ylphenyl)carbamate
CID 110362130
2-hydroxyethyl N-(3-pyrrolidin-1-ylphenyl)carbamate
CID 79345921

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-pyrrolidin-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(3-pyrrolidin-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide (CID 62688150) is 4-amino-N-(3-pyrrolidin-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-pyrrolidin-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-pyrrolidin-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 4-amino-N-(3-pyrrolidin-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is AOLBPCZOQVRVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c14-12-11(16-20-17-12)13(19)15-9-4-3-5-10(8-9)18-6-1-2-7-18/h3-5,8H,1-2,6-7H2,(H2,14,17)(H,15,19).
What are the key properties of 4-amino-N-(3-pyrrolidin-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(3-pyrrolidin-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-pyrrolidin-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62688150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).