N-methyl-1,3-oxazole-5-carboxamide

C5H6N2O2 — CID 23525717

IUPACN-methyl-1,3-oxazole-5-carboxamide
SMILESCNC(=O)c1cnco1
InChIInChI=1S/C5H6N2O2/c1-6-5(8)4-2-7-3-9-4/h2-3H,1H3,(H,6,8)
InChIKeyYKJFVDFPTHDPNO-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.03
Rot. Bonds1

About N-methyl-1,3-oxazole-5-carboxamide

N-methyl-1,3-oxazole-5-carboxamide (PubChem CID 23525717) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is N-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-1,3-oxazole-5-carboxamide
PubChem CID23525717
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC NameN-methyl-1,3-oxazole-5-carboxamide
SMILESCNC(=O)c1cnco1
InChIInChI=1S/C5H6N2O2/c1-6-5(8)4-2-7-3-9-4/h2-3H,1H3,(H,6,8)
InChIKeyYKJFVDFPTHDPNO-UHFFFAOYSA-N
XLogP0.03
TPSA55.13 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 ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-methyl-1,3-oxazole-5-carboxamide (CID 23525717) is N-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-methyl-1,3-oxazole-5-carboxamide is CNC(=O)c1cnco1.
What is the InChIKey of N-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is YKJFVDFPTHDPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-6-5(8)4-2-7-3-9-4/h2-3H,1H3,(H,6,8).
What are the key properties of N-methyl-1,3-oxazole-5-carboxamide?
N-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 126.11 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 23525717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).