N-[2-(1H-imidazol-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide

C10H12N4O2 — CID 115620280

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCCc2ncc[nH]2)on1
InChIInChI=1S/C10H12N4O2/c1-7-6-8(16-14-7)10(15)13-3-2-9-11-4-5-12-9/h4-6H,2-3H2,1H3,(H,11,12)(H,13,15)
InChIKeyQMSIVGLPHLGYFW-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.68
Rot. Bonds4

About N-[2-(1H-imidazol-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[2-(1H-imidazol-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 115620280) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID115620280
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCCc2ncc[nH]2)on1
InChIInChI=1S/C10H12N4O2/c1-7-6-8(16-14-7)10(15)13-3-2-9-11-4-5-12-9/h4-6H,2-3H2,1H3,(H,11,12)(H,13,15)
InChIKeyQMSIVGLPHLGYFW-UHFFFAOYSA-N
XLogP0.68
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide
CID 114821905
3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
CID 115668440
5-amino-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dimethylbenzamide
CID 102705968
N-[2-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-carboxamide
CID 115679033
2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
CID 113247173
N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 115620204
2,4,6-trifluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
CID 115668718
4-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]benzoic acid
CID 43665789
N-[2-(1H-imidazol-2-yl)ethyl]-4,5,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 122564999
3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 86930017
N-[2-(1H-imidazol-2-yl)ethyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide
CID 91901456
3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
CID 137320445

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 115620280) is N-[2-(1H-imidazol-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NCCc2ncc[nH]2)on1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is QMSIVGLPHLGYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-7-6-8(16-14-7)10(15)13-3-2-9-11-4-5-12-9/h4-6H,2-3H2,1H3,(H,11,12)(H,13,15).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[2-(1H-imidazol-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 220.23 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 115620280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).