5-amino-3-(3-aminopyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile

C8H11N5O — CID 102795750

IUPAC5-amino-3-(3-aminopyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile
SMILESN#Cc1c(N2CCC(N)C2)noc1N
InChIInChI=1S/C8H11N5O/c9-3-6-7(11)14-12-8(6)13-2-1-5(10)4-13/h5H,1-2,4,10-11H2
InChIKeyXYYJTPFKZFNMHJ-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.33
Rot. Bonds1

About 5-amino-3-(3-aminopyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile

5-amino-3-(3-aminopyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile (PubChem CID 102795750) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-amino-3-(3-aminopyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(3-aminopyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile
PubChem CID102795750
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name5-amino-3-(3-aminopyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile
SMILESN#Cc1c(N2CCC(N)C2)noc1N
InChIInChI=1S/C8H11N5O/c9-3-6-7(11)14-12-8(6)13-2-1-5(10)4-13/h5H,1-2,4,10-11H2
InChIKeyXYYJTPFKZFNMHJ-UHFFFAOYSA-N
XLogP-0.33
TPSA105.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-3-(4-hydroxypiperidin-1-yl)-1,2-oxazole-4-carbonitrile
CID 102795780
5-amino-3-(3-aminopyrrolidin-1-yl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 102795311
5-amino-3-(3-aminopyrrolidin-1-yl)-1-(4-bromophenyl)pyrazole-4-carbonitrile
CID 102796328
5-amino-3-(3-aminopyrrolidin-1-yl)-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile
CID 102796652
7-[(3R)-3-aminopyrrolidin-1-yl]-3-(2,5-dimethylpyrrol-1-yl)-1,2-benzoxazole-5-carbonitrile
CID 118456990
2-(3-aminopyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79876947
2-[(3R)-3-aminopyrrolidin-1-yl]-6-fluorobenzonitrile
CID 94340829
4-[(3S)-3-aminopyrrolidin-1-yl]pyridine-3-carbonitrile
CID 67060660
2-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile
CID 94340791
7-(3-aminopyrrolidin-1-yl)-5-(difluoromethyl)-[1,2]oxazolo[5,4-c]pyridin-3-amine
CID 118456855
2-(3-aminopyrrolidin-1-yl)-3-nitropyridine-4-carbonitrile
CID 82813337
2-[5-amino-3-(3-aminopiperidin-1-yl)-4-cyanopyrazol-1-yl]acetic acid
CID 102796625

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-aminopyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(3-aminopyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile (CID 102795750) is 5-amino-3-(3-aminopyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(3-aminopyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(3-aminopyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile is N#Cc1c(N2CCC(N)C2)noc1N.
What is the InChIKey of 5-amino-3-(3-aminopyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile?
The InChIKey is XYYJTPFKZFNMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c9-3-6-7(11)14-12-8(6)13-2-1-5(10)4-13/h5H,1-2,4,10-11H2.
What are the key properties of 5-amino-3-(3-aminopyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile?
5-amino-3-(3-aminopyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile has a molecular weight of 193.21 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-aminopyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 102795750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).