N-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]pyrazine-2-carboxamide

C13H13N5O3 — CID 71788441

IUPACN-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1nc(C(=O)N2CCCC2)co1)c1cnccn1
InChIInChI=1S/C13H13N5O3/c19-11(9-7-14-3-4-15-9)17-13-16-10(8-21-13)12(20)18-5-1-2-6-18/h3-4,7-8H,1-2,5-6H2,(H,16,17,19)
InChIKeyQGGMWUZMBCMTBP-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.95
Rot. Bonds3

About N-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]pyrazine-2-carboxamide

N-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]pyrazine-2-carboxamide (PubChem CID 71788441) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]pyrazine-2-carboxamide
PubChem CID71788441
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC NameN-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1nc(C(=O)N2CCCC2)co1)c1cnccn1
InChIInChI=1S/C13H13N5O3/c19-11(9-7-14-3-4-15-9)17-13-16-10(8-21-13)12(20)18-5-1-2-6-18/h3-4,7-8H,1-2,5-6H2,(H,16,17,19)
InChIKeyQGGMWUZMBCMTBP-UHFFFAOYSA-N
XLogP0.95
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]pyrazine-2-carboxamide (CID 71788441) is N-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]pyrazine-2-carboxamide is O=C(Nc1nc(C(=O)N2CCCC2)co1)c1cnccn1.
What is the InChIKey of N-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]pyrazine-2-carboxamide?
The InChIKey is QGGMWUZMBCMTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c19-11(9-7-14-3-4-15-9)17-13-16-10(8-21-13)12(20)18-5-1-2-6-18/h3-4,7-8H,1-2,5-6H2,(H,16,17,19).
What are the key properties of N-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]pyrazine-2-carboxamide?
N-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 71788441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).