N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide

C17H18N4O2 — CID 166340631

IUPACN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide
SMILESCCc1ncoc1C(=O)Nc1ccc(-n2cnc(C)c2C)cc1
InChIInChI=1S/C17H18N4O2/c1-4-15-16(23-10-19-15)17(22)20-13-5-7-14(8-6-13)21-9-18-11(2)12(21)3/h5-10H,4H2,1-3H3,(H,20,22)
InChIKeyBSULTOLCCQGVKX-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.29
Rot. Bonds4

About N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide (PubChem CID 166340631) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide
PubChem CID166340631
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide
SMILESCCc1ncoc1C(=O)Nc1ccc(-n2cnc(C)c2C)cc1
InChIInChI=1S/C17H18N4O2/c1-4-15-16(23-10-19-15)17(22)20-13-5-7-14(8-6-13)21-9-18-11(2)12(21)3/h5-10H,4H2,1-3H3,(H,20,22)
InChIKeyBSULTOLCCQGVKX-UHFFFAOYSA-N
XLogP3.29
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 166215741
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide
CID 166215878
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide
CID 166215679
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582
4-(2-amino-2-oxoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]benzamide
CID 166327124
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(hydroxymethyl)furan-2-carboxamide
CID 166340595
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-ethoxy-1H-pyrazole-5-carboxamide
CID 166327015
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide
CID 166215458
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-6-methylpyridine-2-carboxamide
CID 166340671
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166215592
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylpyridine-2-carboxamide
CID 166215509
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 166215479

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide (CID 166340631) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide is CCc1ncoc1C(=O)Nc1ccc(-n2cnc(C)c2C)cc1.
What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide?
The InChIKey is BSULTOLCCQGVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-4-15-16(23-10-19-15)17(22)20-13-5-7-14(8-6-13)21-9-18-11(2)12(21)3/h5-10H,4H2,1-3H3,(H,20,22).
What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide?
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 166340631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).