N-[(3R)-1-cyanopyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide

C14H13N5O2 — CID 122590601

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)c2cc(-c3ccncc3)on2)C1
InChIInChI=1S/C14H13N5O2/c15-9-19-6-3-11(8-19)17-14(20)12-7-13(21-18-12)10-1-4-16-5-2-10/h1-2,4-5,7,11H,3,6,8H2,(H,17,20)/t11-/m1/s1
InChIKeyZXSWQIGDJADBQU-LLVKDONJSA-N
MW283.29 g/mol
LogP1.02
Rot. Bonds3

About N-[(3R)-1-cyanopyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide

N-[(3R)-1-cyanopyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide (PubChem CID 122590601) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
PubChem CID122590601
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)c2cc(-c3ccncc3)on2)C1
InChIInChI=1S/C14H13N5O2/c15-9-19-6-3-11(8-19)17-14(20)12-7-13(21-18-12)10-1-4-16-5-2-10/h1-2,4-5,7,11H,3,6,8H2,(H,17,20)/t11-/m1/s1
InChIKeyZXSWQIGDJADBQU-LLVKDONJSA-N
XLogP1.02
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide (CID 122590601) is N-[(3R)-1-cyanopyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide is N#CN1CC[C@@H](NC(=O)c2cc(-c3ccncc3)on2)C1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The InChIKey is ZXSWQIGDJADBQU-LLVKDONJSA-N. The full InChI is InChI=1S/C14H13N5O2/c15-9-19-6-3-11(8-19)17-14(20)12-7-13(21-18-12)10-1-4-16-5-2-10/h1-2,4-5,7,11H,3,6,8H2,(H,17,20)/t11-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyanopyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122590601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).