2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid

C15H18N4O3 — CID 146144666

IUPAC2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid
SMILESCCc1cc(CN2CCCC2c2ncc(C(=O)O)cn2)on1
InChIInChI=1S/C15H18N4O3/c1-2-11-6-12(22-18-11)9-19-5-3-4-13(19)14-16-7-10(8-17-14)15(20)21/h6-8,13H,2-5,9H2,1H3,(H,20,21)
InChIKeyWGELBCANUJKBRT-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.06
Rot. Bonds5

About 2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid

2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid (PubChem CID 146144666) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid
PubChem CID146144666
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid
SMILESCCc1cc(CN2CCCC2c2ncc(C(=O)O)cn2)on1
InChIInChI=1S/C15H18N4O3/c1-2-11-6-12(22-18-11)9-19-5-3-4-13(19)14-16-7-10(8-17-14)15(20)21/h6-8,13H,2-5,9H2,1H3,(H,20,21)
InChIKeyWGELBCANUJKBRT-UHFFFAOYSA-N
XLogP2.06
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid (CID 146144666) is 2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid is CCc1cc(CN2CCCC2c2ncc(C(=O)O)cn2)on1.
What is the InChIKey of 2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid?
The InChIKey is WGELBCANUJKBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-2-11-6-12(22-18-11)9-19-5-3-4-13(19)14-16-7-10(8-17-14)15(20)21/h6-8,13H,2-5,9H2,1H3,(H,20,21).
What are the key properties of 2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid?
2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 146144666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).