N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide

C14H17N5O2 — CID 122356550

IUPACN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide
SMILESCc1nc(N2CCCC2)nc(C)c1NC(=O)c1ccno1
InChIInChI=1S/C14H17N5O2/c1-9-12(18-13(20)11-5-6-15-21-11)10(2)17-14(16-9)19-7-3-4-8-19/h5-6H,3-4,7-8H2,1-2H3,(H,18,20)
InChIKeyYGVZPIZFUOXQCD-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.93
Rot. Bonds3

About N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide

N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide (PubChem CID 122356550) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide
PubChem CID122356550
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide
SMILESCc1nc(N2CCCC2)nc(C)c1NC(=O)c1ccno1
InChIInChI=1S/C14H17N5O2/c1-9-12(18-13(20)11-5-6-15-21-11)10(2)17-14(16-9)19-7-3-4-8-19/h5-6H,3-4,7-8H2,1-2H3,(H,18,20)
InChIKeyYGVZPIZFUOXQCD-UHFFFAOYSA-N
XLogP1.93
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide (CID 122356550) is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide is Cc1nc(N2CCCC2)nc(C)c1NC(=O)c1ccno1.
What is the InChIKey of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is YGVZPIZFUOXQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-12(18-13(20)11-5-6-15-21-11)10(2)17-14(16-9)19-7-3-4-8-19/h5-6H,3-4,7-8H2,1-2H3,(H,18,20).
What are the key properties of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide?
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 122356550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).