N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide

C5H8N2O2 — CID 20523769

IUPACN-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESCNC(=O)C1=NCCO1
InChIInChI=1S/C5H8N2O2/c1-6-4(8)5-7-2-3-9-5/h2-3H2,1H3,(H,6,8)
InChIKeyIXPZLOMWQUCJFU-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.84
Rot. Bonds1

About N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide

N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide (PubChem CID 20523769) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide
PubChem CID20523769
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC NameN-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESCNC(=O)C1=NCCO1
InChIInChI=1S/C5H8N2O2/c1-6-4(8)5-7-2-3-9-5/h2-3H2,1H3,(H,6,8)
InChIKeyIXPZLOMWQUCJFU-UHFFFAOYSA-N
XLogP-0.84
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The IUPAC name of N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide (CID 20523769) is N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide is CNC(=O)C1=NCCO1.
What is the InChIKey of N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The InChIKey is IXPZLOMWQUCJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-6-4(8)5-7-2-3-9-5/h2-3H2,1H3,(H,6,8).
What are the key properties of N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide has a molecular weight of 128.13 g/mol, XLogP of -0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 20523769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).