3-methoxy-N-[2-(5-methyl-1,3-benzoxazol-2-yl)ethyl]-4-(4-methylimidazol-1-yl)benzamide

C22H22N4O3 — CID 66790975

IUPAC3-methoxy-N-[2-(5-methyl-1,3-benzoxazol-2-yl)ethyl]-4-(4-methylimidazol-1-yl)benzamide
SMILESCOc1cc(C(=O)NCCc2nc3cc(C)ccc3o2)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H22N4O3/c1-14-4-7-19-17(10-14)25-21(29-19)8-9-23-22(27)16-5-6-18(20(11-16)28-3)26-12-15(2)24-13-26/h4-7,10-13H,8-9H2,1-3H3,(H,23,27)
InChIKeyXCKSAGOIXQLCDN-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.61
Rot. Bonds6

About 3-methoxy-N-[2-(5-methyl-1,3-benzoxazol-2-yl)ethyl]-4-(4-methylimidazol-1-yl)benzamide

3-methoxy-N-[2-(5-methyl-1,3-benzoxazol-2-yl)ethyl]-4-(4-methylimidazol-1-yl)benzamide (PubChem CID 66790975) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-methoxy-N-[2-(5-methyl-1,3-benzoxazol-2-yl)ethyl]-4-(4-methylimidazol-1-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(5-methyl-1,3-benzoxazol-2-yl)ethyl]-4-(4-methylimidazol-1-yl)benzamide
PubChem CID66790975
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name3-methoxy-N-[2-(5-methyl-1,3-benzoxazol-2-yl)ethyl]-4-(4-methylimidazol-1-yl)benzamide
SMILESCOc1cc(C(=O)NCCc2nc3cc(C)ccc3o2)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H22N4O3/c1-14-4-7-19-17(10-14)25-21(29-19)8-9-23-22(27)16-5-6-18(20(11-16)28-3)26-12-15(2)24-13-26/h4-7,10-13H,8-9H2,1-3H3,(H,23,27)
InChIKeyXCKSAGOIXQLCDN-UHFFFAOYSA-N
XLogP3.61
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
CID 66607849
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 110711801
N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 46899094
3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-4-(4-methylimidazol-1-yl)benzamide
CID 66791325
tert-butyl N-[[2-[[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]amino]acetyl]amino]carbamate
CID 66790958
3-methoxy-4-(4-methylimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)benzamide
CID 66790742
benzyl N-[[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]amino]carbamate
CID 66618835
3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
CID 66791237
1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole
CID 91094143
N-[2-(3,4-dimethylphenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide
CID 100510330
N-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1,3-benzoxazol-2-yl)propanamide
CID 100510362
N-(2-bromoethyl)-2-(5-methyl-1,3-benzoxazol-2-yl)acetamide
CID 54122602

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(5-methyl-1,3-benzoxazol-2-yl)ethyl]-4-(4-methylimidazol-1-yl)benzamide?
The IUPAC name of 3-methoxy-N-[2-(5-methyl-1,3-benzoxazol-2-yl)ethyl]-4-(4-methylimidazol-1-yl)benzamide (CID 66790975) is 3-methoxy-N-[2-(5-methyl-1,3-benzoxazol-2-yl)ethyl]-4-(4-methylimidazol-1-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(5-methyl-1,3-benzoxazol-2-yl)ethyl]-4-(4-methylimidazol-1-yl)benzamide?
The canonical SMILES for 3-methoxy-N-[2-(5-methyl-1,3-benzoxazol-2-yl)ethyl]-4-(4-methylimidazol-1-yl)benzamide is COc1cc(C(=O)NCCc2nc3cc(C)ccc3o2)ccc1-n1cnc(C)c1.
What is the InChIKey of 3-methoxy-N-[2-(5-methyl-1,3-benzoxazol-2-yl)ethyl]-4-(4-methylimidazol-1-yl)benzamide?
The InChIKey is XCKSAGOIXQLCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-14-4-7-19-17(10-14)25-21(29-19)8-9-23-22(27)16-5-6-18(20(11-16)28-3)26-12-15(2)24-13-26/h4-7,10-13H,8-9H2,1-3H3,(H,23,27).
What are the key properties of 3-methoxy-N-[2-(5-methyl-1,3-benzoxazol-2-yl)ethyl]-4-(4-methylimidazol-1-yl)benzamide?
3-methoxy-N-[2-(5-methyl-1,3-benzoxazol-2-yl)ethyl]-4-(4-methylimidazol-1-yl)benzamide has a molecular weight of 390.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(5-methyl-1,3-benzoxazol-2-yl)ethyl]-4-(4-methylimidazol-1-yl)benzamide is sourced from PubChem (CID 66790975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).