3-(4-methoxyphenyl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide

C22H20N4O3 — CID 46974809

IUPAC3-(4-methoxyphenyl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cccc(Cn4ccnc4C)c3)on2)cc1
InChIInChI=1S/C22H20N4O3/c1-15-23-10-11-26(15)14-16-4-3-5-18(12-16)24-22(27)21-13-20(25-29-21)17-6-8-19(28-2)9-7-17/h3-13H,14H2,1-2H3,(H,24,27)
InChIKeyHEDIYLRBKUPNOJ-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.16
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide

3-(4-methoxyphenyl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 46974809) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide
PubChem CID46974809
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name3-(4-methoxyphenyl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cccc(Cn4ccnc4C)c3)on2)cc1
InChIInChI=1S/C22H20N4O3/c1-15-23-10-11-26(15)14-16-4-3-5-18(12-16)24-22(27)21-13-20(25-29-21)17-6-8-19(28-2)9-7-17/h3-13H,14H2,1-2H3,(H,24,27)
InChIKeyHEDIYLRBKUPNOJ-UHFFFAOYSA-N
XLogP4.16
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 46975885
N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-4-morpholin-4-ylbenzamide
CID 46974679
N-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427554
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55666254
N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43925818
methyl 2-[[3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]benzoyl]amino]acetate
CID 55848995
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 46473887
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427832
2-methyl-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-3-methylsulfonylpropanamide
CID 84585604
3-(4-methoxyphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19508813
4-(5-amino-3-methylpyrazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]benzamide
CID 46974322
3-phenyl-N-[3-(sulfamoylmethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 60610490

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide (CID 46974809) is 3-(4-methoxyphenyl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cccc(Cn4ccnc4C)c3)on2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is HEDIYLRBKUPNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-15-23-10-11-26(15)14-16-4-3-5-18(12-16)24-22(27)21-13-20(25-29-21)17-6-8-19(28-2)9-7-17/h3-13H,14H2,1-2H3,(H,24,27).
What are the key properties of 3-(4-methoxyphenyl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide?
3-(4-methoxyphenyl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46974809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).