N-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-3H-benzimidazole-5-carboxamide

C25H22N4O3 — CID 76902175

IUPACN-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCC1=NOC(COc2ccccc2-c2ccccc2)C1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C25H22N4O3/c30-25(18-10-11-22-23(12-18)28-16-27-22)26-14-19-13-20(32-29-19)15-31-24-9-5-4-8-21(24)17-6-2-1-3-7-17/h1-12,16,20H,13-15H2,(H,26,30)(H,27,28)
InChIKeyLJGPLUFYRUJIND-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.18
Rot. Bonds7

About N-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-3H-benzimidazole-5-carboxamide

N-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 76902175) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-3H-benzimidazole-5-carboxamide
PubChem CID76902175
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCC1=NOC(COc2ccccc2-c2ccccc2)C1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C25H22N4O3/c30-25(18-10-11-22-23(12-18)28-16-27-22)26-14-19-13-20(32-29-19)15-31-24-9-5-4-8-21(24)17-6-2-1-3-7-17/h1-12,16,20H,13-15H2,(H,26,30)(H,27,28)
InChIKeyLJGPLUFYRUJIND-UHFFFAOYSA-N
XLogP4.18
TPSA88.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

1-(4-fluorophenyl)-3-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]urea
CID 76900484
tert-butyl N-[[5-[[2-(4-carbamoylphenyl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate
CID 90292947
N-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-4,6,7,7a-tetrahydro-2H-thieno[3,2-c]pyridine-5-carboxamide
CID 175753842
4-[2-[[3-(aminomethyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]phenyl]benzamide
CID 90286292
N-[[2-(aminomethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 62949714
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110793668
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110795807
N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110473116
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3H-benzimidazole-5-carboxamide
CID 115701405
N-[(5-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47288761
N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 167876967
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 136666454

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-3H-benzimidazole-5-carboxamide (CID 76902175) is N-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-3H-benzimidazole-5-carboxamide is O=C(NCC1=NOC(COc2ccccc2-c2ccccc2)C1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is LJGPLUFYRUJIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c30-25(18-10-11-22-23(12-18)28-16-27-22)26-14-19-13-20(32-29-19)15-31-24-9-5-4-8-21(24)17-6-2-1-3-7-17/h1-12,16,20H,13-15H2,(H,26,30)(H,27,28).
What are the key properties of N-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-3H-benzimidazole-5-carboxamide?
N-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 76902175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).