N-[2-(methylamino)ethyl]-1,2-oxazole-5-carboxamide

C7H11N3O2 — CID 62659482

IUPACN-[2-(methylamino)ethyl]-1,2-oxazole-5-carboxamide
SMILESCNCCNC(=O)c1ccno1
InChIInChI=1S/C7H11N3O2/c1-8-4-5-9-7(11)6-2-3-10-12-6/h2-3,8H,4-5H2,1H3,(H,9,11)
InChIKeyPWKYOJLIKKSCPS-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.38
Rot. Bonds4

About N-[2-(methylamino)ethyl]-1,2-oxazole-5-carboxamide

N-[2-(methylamino)ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 62659482) 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-5-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-1,2-oxazole-5-carboxamide
PubChem CID62659482
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-[2-(methylamino)ethyl]-1,2-oxazole-5-carboxamide
SMILESCNCCNC(=O)c1ccno1
InChIInChI=1S/C7H11N3O2/c1-8-4-5-9-7(11)6-2-3-10-12-6/h2-3,8H,4-5H2,1H3,(H,9,11)
InChIKeyPWKYOJLIKKSCPS-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-aminopropyl)-1,2-oxazole-5-carboxamide
CID 62268259
N-[2-(4-fluorophenyl)ethyl]-1,2-oxazole-5-carboxamide
CID 110693584
N-[(5-methyl-1,2-oxazol-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 121172381
N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 115825220
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,2-oxazole-5-carboxamide
CID 77098246
N-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide
CID 155801056
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
N-[3-(3-methylanilino)-3-oxopropyl]-1,2-oxazole-5-carboxamide
CID 131915937
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 121121180
N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 119101234
N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-5-carboxamide
CID 122289833
N-[(2-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 110693577

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(methylamino)ethyl]-1,2-oxazole-5-carboxamide (CID 62659482) is N-[2-(methylamino)ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-1,2-oxazole-5-carboxamide is CNCCNC(=O)c1ccno1.
What is the InChIKey of N-[2-(methylamino)ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is PWKYOJLIKKSCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-8-4-5-9-7(11)6-2-3-10-12-6/h2-3,8H,4-5H2,1H3,(H,9,11).
What are the key properties of N-[2-(methylamino)ethyl]-1,2-oxazole-5-carboxamide?
N-[2-(methylamino)ethyl]-1,2-oxazole-5-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-5-carboxamide is sourced from PubChem (CID 62659482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).