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

C9H8N4O2 — CID 3073033

IUPAC5-methyl-N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ncccn2)no1
InChIInChI=1S/C9H8N4O2/c1-6-5-7(13-15-6)8(14)12-9-10-3-2-4-11-9/h2-5H,1H3,(H,10,11,12,14)
InChIKeyNCJNQJRBCJQWPK-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.03
Rot. Bonds2

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

5-methyl-N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3073033) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 5-methyl-N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3073033
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name5-methyl-N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ncccn2)no1
InChIInChI=1S/C9H8N4O2/c1-6-5-7(13-15-6)8(14)12-9-10-3-2-4-11-9/h2-5H,1H3,(H,10,11,12,14)
InChIKeyNCJNQJRBCJQWPK-UHFFFAOYSA-N
XLogP1.03
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide (CID 3073033) is 5-methyl-N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ncccn2)no1.
What is the InChIKey of 5-methyl-N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is NCJNQJRBCJQWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c1-6-5-7(13-15-6)8(14)12-9-10-3-2-4-11-9/h2-5H,1H3,(H,10,11,12,14).
What are the key properties of 5-methyl-N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide?
5-methyl-N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 204.19 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3073033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).