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

C9H12N4O2 — CID 102795780

IUPAC5-amino-3-(4-hydroxypiperidin-1-yl)-1,2-oxazole-4-carbonitrile
SMILESN#Cc1c(N2CCC(O)CC2)noc1N
InChIInChI=1S/C9H12N4O2/c10-5-7-8(11)15-12-9(7)13-3-1-6(14)2-4-13/h6,14H,1-4,11H2
InChIKeyRPCQXRJKHBHIFG-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.09
Rot. Bonds1

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

5-amino-3-(4-hydroxypiperidin-1-yl)-1,2-oxazole-4-carbonitrile (PubChem CID 102795780) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-amino-3-(4-hydroxypiperidin-1-yl)-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(4-hydroxypiperidin-1-yl)-1,2-oxazole-4-carbonitrile
PubChem CID102795780
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name5-amino-3-(4-hydroxypiperidin-1-yl)-1,2-oxazole-4-carbonitrile
SMILESN#Cc1c(N2CCC(O)CC2)noc1N
InChIInChI=1S/C9H12N4O2/c10-5-7-8(11)15-12-9(7)13-3-1-6(14)2-4-13/h6,14H,1-4,11H2
InChIKeyRPCQXRJKHBHIFG-UHFFFAOYSA-N
XLogP0.09
TPSA99.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-3-(3-aminopyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile
CID 102795750
4-amino-3-(4-hydroxypiperidin-1-yl)benzonitrile
CID 104711326
6-(4-hydroxypiperidin-1-yl)-8,9-dihydro-7H-purine-8-carbaldehyde
CID 174585429
3-amino-4-cyano-N-ethyl-5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxamide
CID 103418581
4-(4-hydroxyazepan-1-yl)-2-(morpholin-4-ylamino)pyrimidine-5-carbonitrile
CID 166857102
3-amino-5-cyclopropyl-1,2-oxazole-4-carbonitrile
CID 131558836
4-chloro-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carbonitrile
CID 130174606
4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile
CID 62492159
4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypyrrolidin-1-yl)thiophene-3-carbonitrile
CID 103421553
4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile
CID 90436574
3-(3-hydroxypyrrolidin-1-yl)pyridazine-4-carbonitrile
CID 80509512
2-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 56877761

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-hydroxypiperidin-1-yl)-1,2-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(4-hydroxypiperidin-1-yl)-1,2-oxazole-4-carbonitrile (CID 102795780) is 5-amino-3-(4-hydroxypiperidin-1-yl)-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(4-hydroxypiperidin-1-yl)-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(4-hydroxypiperidin-1-yl)-1,2-oxazole-4-carbonitrile is N#Cc1c(N2CCC(O)CC2)noc1N.
What is the InChIKey of 5-amino-3-(4-hydroxypiperidin-1-yl)-1,2-oxazole-4-carbonitrile?
The InChIKey is RPCQXRJKHBHIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-5-7-8(11)15-12-9(7)13-3-1-6(14)2-4-13/h6,14H,1-4,11H2.
What are the key properties of 5-amino-3-(4-hydroxypiperidin-1-yl)-1,2-oxazole-4-carbonitrile?
5-amino-3-(4-hydroxypiperidin-1-yl)-1,2-oxazole-4-carbonitrile has a molecular weight of 208.22 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-hydroxypiperidin-1-yl)-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 102795780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).