N-(hydroxymethyl)-N-methyl-1,2-oxazole-5-carboxamide

C6H8N2O3 — CID 58418442

IUPACN-(hydroxymethyl)-N-methyl-1,2-oxazole-5-carboxamide
SMILESCN(CO)C(=O)c1ccno1
InChIInChI=1S/C6H8N2O3/c1-8(4-9)6(10)5-2-3-7-11-5/h2-3,9H,4H2,1H3
InChIKeyJOFVVRKHWCRUPS-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.30
Rot. Bonds2

About N-(hydroxymethyl)-N-methyl-1,2-oxazole-5-carboxamide

N-(hydroxymethyl)-N-methyl-1,2-oxazole-5-carboxamide (PubChem CID 58418442) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is N-(hydroxymethyl)-N-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(hydroxymethyl)-N-methyl-1,2-oxazole-5-carboxamide
PubChem CID58418442
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC NameN-(hydroxymethyl)-N-methyl-1,2-oxazole-5-carboxamide
SMILESCN(CO)C(=O)c1ccno1
InChIInChI=1S/C6H8N2O3/c1-8(4-9)6(10)5-2-3-7-11-5/h2-3,9H,4H2,1H3
InChIKeyJOFVVRKHWCRUPS-UHFFFAOYSA-N
XLogP-0.30
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-methyl-1,2-oxazole-5-carboxamide
CID 110693619
N-ethyl-N-(2-hydroxyethyl)-1,2-oxazole-5-carboxamide
CID 60957663
N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide
CID 59598853
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 64510059
N-(azetidin-3-yl)-N-methyl-1,2-oxazole-5-carboxamide
CID 66186851
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 115278279
ethyl 2-[1,2-oxazole-5-carbonyl(propan-2-yl)amino]acetate
CID 54896874
N-methyl-N-(5-methyl-2-pyridinyl)-1,2-oxazole-5-carboxamide
CID 59676611
ethyl 2-[cyclopropyl(1,2-oxazole-5-carbonyl)amino]acetate
CID 55005865
N-methyl-N-(4-sulfamoylphenyl)-1,2-oxazole-5-carboxamide
CID 61130946
N-methyl-N-piperidin-3-yl-1,2-oxazole-5-carboxamide
CID 63643873
(2R)-2-(1,2-oxazole-5-carbonylamino)propanoic acid
CID 28777798

Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)-N-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(hydroxymethyl)-N-methyl-1,2-oxazole-5-carboxamide (CID 58418442) is N-(hydroxymethyl)-N-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(hydroxymethyl)-N-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(hydroxymethyl)-N-methyl-1,2-oxazole-5-carboxamide is CN(CO)C(=O)c1ccno1.
What is the InChIKey of N-(hydroxymethyl)-N-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is JOFVVRKHWCRUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-8(4-9)6(10)5-2-3-7-11-5/h2-3,9H,4H2,1H3.
What are the key properties of N-(hydroxymethyl)-N-methyl-1,2-oxazole-5-carboxamide?
N-(hydroxymethyl)-N-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 156.14 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)-N-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 58418442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).