2-methyl-4-propan-2-yl-N-pyrimidin-2-yl-1,3-oxazole-5-carboxamide

C12H14N4O2 — CID 110684765

IUPAC2-methyl-4-propan-2-yl-N-pyrimidin-2-yl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C(C)C)c(C(=O)Nc2ncccn2)o1
InChIInChI=1S/C12H14N4O2/c1-7(2)9-10(18-8(3)15-9)11(17)16-12-13-5-4-6-14-12/h4-7H,1-3H3,(H,13,14,16,17)
InChIKeyLZGUYIXLWLOSRM-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.15
Rot. Bonds3

About 2-methyl-4-propan-2-yl-N-pyrimidin-2-yl-1,3-oxazole-5-carboxamide

2-methyl-4-propan-2-yl-N-pyrimidin-2-yl-1,3-oxazole-5-carboxamide (PubChem CID 110684765) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yl-N-pyrimidin-2-yl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-4-propan-2-yl-N-pyrimidin-2-yl-1,3-oxazole-5-carboxamide
PubChem CID110684765
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-methyl-4-propan-2-yl-N-pyrimidin-2-yl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C(C)C)c(C(=O)Nc2ncccn2)o1
InChIInChI=1S/C12H14N4O2/c1-7(2)9-10(18-8(3)15-9)11(17)16-12-13-5-4-6-14-12/h4-7H,1-3H3,(H,13,14,16,17)
InChIKeyLZGUYIXLWLOSRM-UHFFFAOYSA-N
XLogP2.15
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yl-N-pyrimidin-2-yl-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-methyl-4-propan-2-yl-N-pyrimidin-2-yl-1,3-oxazole-5-carboxamide (CID 110684765) is 2-methyl-4-propan-2-yl-N-pyrimidin-2-yl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-methyl-4-propan-2-yl-N-pyrimidin-2-yl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-methyl-4-propan-2-yl-N-pyrimidin-2-yl-1,3-oxazole-5-carboxamide is Cc1nc(C(C)C)c(C(=O)Nc2ncccn2)o1.
What is the InChIKey of 2-methyl-4-propan-2-yl-N-pyrimidin-2-yl-1,3-oxazole-5-carboxamide?
The InChIKey is LZGUYIXLWLOSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7(2)9-10(18-8(3)15-9)11(17)16-12-13-5-4-6-14-12/h4-7H,1-3H3,(H,13,14,16,17).
What are the key properties of 2-methyl-4-propan-2-yl-N-pyrimidin-2-yl-1,3-oxazole-5-carboxamide?
2-methyl-4-propan-2-yl-N-pyrimidin-2-yl-1,3-oxazole-5-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yl-N-pyrimidin-2-yl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110684765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).