N-(4-imidazol-1-ylphenyl)-5-methyl-1,2-oxazole-3-carboxamide

C14H12N4O2 — CID 86920859

IUPACN-(4-imidazol-1-ylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-n3ccnc3)cc2)no1
InChIInChI=1S/C14H12N4O2/c1-10-8-13(17-20-10)14(19)16-11-2-4-12(5-3-11)18-7-6-15-9-18/h2-9H,1H3,(H,16,19)
InChIKeyHZLGBPDIVBFDAY-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.42
Rot. Bonds3

About N-(4-imidazol-1-ylphenyl)-5-methyl-1,2-oxazole-3-carboxamide

N-(4-imidazol-1-ylphenyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 86920859) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(4-imidazol-1-ylphenyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-imidazol-1-ylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID86920859
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC NameN-(4-imidazol-1-ylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-n3ccnc3)cc2)no1
InChIInChI=1S/C14H12N4O2/c1-10-8-13(17-20-10)14(19)16-11-2-4-12(5-3-11)18-7-6-15-9-18/h2-9H,1H3,(H,16,19)
InChIKeyHZLGBPDIVBFDAY-UHFFFAOYSA-N
XLogP2.42
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-imidazol-1-ylphenyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 86920859) is N-(4-imidazol-1-ylphenyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-imidazol-1-ylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-imidazol-1-ylphenyl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(-n3ccnc3)cc2)no1.
What is the InChIKey of N-(4-imidazol-1-ylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is HZLGBPDIVBFDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-10-8-13(17-20-10)14(19)16-11-2-4-12(5-3-11)18-7-6-15-9-18/h2-9H,1H3,(H,16,19).
What are the key properties of N-(4-imidazol-1-ylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(4-imidazol-1-ylphenyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylphenyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 86920859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).