5-methyl-1,2-oxazole-4-carboxamide

C5H6N2O2 — CID 18366019

IUPAC5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(N)=O
InChIInChI=1S/C5H6N2O2/c1-3-4(5(6)8)2-7-9-3/h2H,1H3,(H2,6,8)
InChIKeyRRGRQQFUASVDPO-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.08
Rot. Bonds1

About 5-methyl-1,2-oxazole-4-carboxamide

5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 18366019) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1,2-oxazole-4-carboxamide
PubChem CID18366019
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(N)=O
InChIInChI=1S/C5H6N2O2/c1-3-4(5(6)8)2-7-9-3/h2H,1H3,(H2,6,8)
InChIKeyRRGRQQFUASVDPO-UHFFFAOYSA-N
XLogP0.08
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-1,2-oxazole-4-carboxamide (CID 18366019) is 5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(N)=O.
What is the InChIKey of 5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is RRGRQQFUASVDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-3-4(5(6)8)2-7-9-3/h2H,1H3,(H2,6,8).
What are the key properties of 5-methyl-1,2-oxazole-4-carboxamide?
5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 126.11 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 18366019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).