N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C17H18N4O2 — CID 166215741

IUPACN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)o1
InChIInChI=1S/C17H18N4O2/c1-10-12(3)21(9-18-10)15-7-5-14(6-8-15)20-17(22)16-11(2)19-13(4)23-16/h5-9H,1-4H3,(H,20,22)
InChIKeyNFGYAKLKCHHCIU-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.35
Rot. Bonds3

About N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 166215741) 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]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID166215741
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)o1
InChIInChI=1S/C17H18N4O2/c1-10-12(3)21(9-18-10)15-7-5-14(6-8-15)20-17(22)16-11(2)19-13(4)23-16/h5-9H,1-4H3,(H,20,22)
InChIKeyNFGYAKLKCHHCIU-UHFFFAOYSA-N
XLogP3.35
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide
CID 166340631
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide
CID 166215679
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide
CID 166215878
5-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide
CID 166197115
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(hydroxymethyl)furan-2-carboxamide
CID 166340595
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-6-methylpyridine-2-carboxamide
CID 166340671
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 166215479
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylpyridine-2-carboxamide
CID 166215509
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 166215842
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide
CID 166327019
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-fluoropyridine-2-carboxamide
CID 166327066

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 166215741) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)o1.
What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is NFGYAKLKCHHCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-10-12(3)21(9-18-10)15-7-5-14(6-8-15)20-17(22)16-11(2)19-13(4)23-16/h5-9H,1-4H3,(H,20,22).
What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 3.35, 3 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]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 166215741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).