N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide

C7H11N3O2 — CID 62659468

IUPACN-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide
SMILESCNCCNC(=O)c1ccon1
InChIInChI=1S/C7H11N3O2/c1-8-3-4-9-7(11)6-2-5-12-10-6/h2,5,8H,3-4H2,1H3,(H,9,11)
InChIKeyZXUVHDWCEFOQDV-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.38
Rot. Bonds4

About N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide

N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 62659468) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID62659468
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide
SMILESCNCCNC(=O)c1ccon1
InChIInChI=1S/C7H11N3O2/c1-8-3-4-9-7(11)6-2-5-12-10-6/h2,5,8H,3-4H2,1H3,(H,9,11)
InChIKeyZXUVHDWCEFOQDV-UHFFFAOYSA-N
XLogP-0.38
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 110693766
N-(chloromethyl)-1,2-oxazole-3-carboxamide
CID 91516447
N-(2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 130679942
N-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 110693729
N-(4-amino-4-sulfanylidenebutyl)-1,2-oxazole-3-carboxamide
CID 62666020
N-(5-bromo-4-methylpentyl)-1,2-oxazole-3-carboxamide
CID 106157906
N-(3-chloro-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 115364627
N-(3-amino-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 83619403
N-(3-bromo-4-methoxybutyl)-1,2-oxazole-3-carboxamide
CID 106245303
N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 110693720
N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 166135903
N-[(1-hydroxycyclobutyl)methyl]-1,2-oxazole-3-carboxamide
CID 115643434

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide (CID 62659468) is N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide is CNCCNC(=O)c1ccon1.
What is the InChIKey of N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZXUVHDWCEFOQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-8-3-4-9-7(11)6-2-5-12-10-6/h2,5,8H,3-4H2,1H3,(H,9,11).
What are the key properties of N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide?
N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 169.18 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 62659468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).