N-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C10H12N4O2 — CID 79883820

IUPACN-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCc2cnc[nH]2)o1
InChIInChI=1S/C10H12N4O2/c1-6-9(16-7(2)14-6)10(15)12-4-8-3-11-5-13-8/h3,5H,4H2,1-2H3,(H,11,13)(H,12,15)
InChIKeyKJBLNCPYSVOXQJ-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.94
Rot. Bonds3

About N-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 79883820) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID79883820
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCc2cnc[nH]2)o1
InChIInChI=1S/C10H12N4O2/c1-6-9(16-7(2)14-6)10(15)12-4-8-3-11-5-13-8/h3,5H,4H2,1-2H3,(H,11,13)(H,12,15)
InChIKeyKJBLNCPYSVOXQJ-UHFFFAOYSA-N
XLogP0.94
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide
CID 113258424
2,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazole-5-carboxamide
CID 79209532
N-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide
CID 104628648
6-chloro-N-(1H-imidazol-5-ylmethyl)pyrazine-2-carboxamide
CID 106551379
2,6-difluoro-N-(1H-imidazol-5-ylmethyl)-3-methylbenzamide
CID 82815562
N-(2-methoxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684796
4-amino-1-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methylpyrazole-5-carboxamide
CID 66122946
N-[[3-(bromomethyl)phenyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114313108
N-(1H-imidazol-5-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 103725235
1,1-diethyl-3-(1H-imidazol-5-ylmethyl)urea
CID 79161079
N-(1H-imidazol-5-ylmethyl)but-2-enamide
CID 77075616
2-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-4,4-dimethylpentanamide
CID 107472326

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 79883820) is N-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NCc2cnc[nH]2)o1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is KJBLNCPYSVOXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-6-9(16-7(2)14-6)10(15)12-4-8-3-11-5-13-8/h3,5H,4H2,1-2H3,(H,11,13)(H,12,15).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 220.23 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 79883820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).