N-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide

C7H10N2O3 — CID 45099367

IUPACN-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCON(C)C(=O)c1cc(C)on1
InChIInChI=1S/C7H10N2O3/c1-5-4-6(8-12-5)7(10)9(2)11-3/h4H,1-3H3
InChIKeyHTBHHCWUGFRTMB-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.62
Rot. Bonds2

About N-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide

N-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 45099367) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is N-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID45099367
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC NameN-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCON(C)C(=O)c1cc(C)on1
InChIInChI=1S/C7H10N2O3/c1-5-4-6(8-12-5)7(10)9(2)11-3/h4H,1-3H3
InChIKeyHTBHHCWUGFRTMB-UHFFFAOYSA-N
XLogP0.62
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N,5-dimethyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 130615848
N-(2-chloroethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 66156018
5-(3,4-difluorophenyl)-N-methoxy-N-methyl-1,2-oxazole-3-carboxamide
CID 91949636
N-methoxy-N,6-dimethylpyrimidine-4-carboxamide
CID 121395327
N-methoxy-N,3-dimethyl-1,2-oxazole-4-carboxamide
CID 45099364
3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 20586201
N-(3-bromopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 106441445
N-(1-cyanoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 66158121
5-methyl-N,N-bis(prop-2-enyl)-1,2-oxazole-3-carboxamide
CID 25237561
ethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 144886330
N-(5-chloropentyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 107205827
N-(2-amino-2-hydroxyiminoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 77113560

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide (CID 45099367) is N-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide is CON(C)C(=O)c1cc(C)on1.
What is the InChIKey of N-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is HTBHHCWUGFRTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-5-4-6(8-12-5)7(10)9(2)11-3/h4H,1-3H3.
What are the key properties of N-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide?
N-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 170.17 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45099367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).