N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-2-methyl-1,3-benzoxazole-5-carboxamide

C26H24N4O3 — CID 166219373

IUPACN-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-2-methyl-1,3-benzoxazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCc3ccc(NC(=O)CN4CCc5ccccc54)cc3)ccc2o1
InChIInChI=1S/C26H24N4O3/c1-17-28-22-14-20(8-11-24(22)33-17)26(32)27-15-18-6-9-21(10-7-18)29-25(31)16-30-13-12-19-4-2-3-5-23(19)30/h2-11,14H,12-13,15-16H2,1H3,(H,27,32)(H,29,31)
InChIKeyURGUDKRHSZBCSE-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.07
Rot. Bonds6

About N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-2-methyl-1,3-benzoxazole-5-carboxamide

N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-2-methyl-1,3-benzoxazole-5-carboxamide (PubChem CID 166219373) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-2-methyl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-2-methyl-1,3-benzoxazole-5-carboxamide
PubChem CID166219373
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-2-methyl-1,3-benzoxazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCc3ccc(NC(=O)CN4CCc5ccccc54)cc3)ccc2o1
InChIInChI=1S/C26H24N4O3/c1-17-28-22-14-20(8-11-24(22)33-17)26(32)27-15-18-6-9-21(10-7-18)29-25(31)16-30-13-12-19-4-2-3-5-23(19)30/h2-11,14H,12-13,15-16H2,1H3,(H,27,32)(H,29,31)
InChIKeyURGUDKRHSZBCSE-UHFFFAOYSA-N
XLogP4.07
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-2-methyl-1,3-benzoxazole-5-carboxamide with MolForge

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Related Compounds

N-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide
CID 54810849
N-benzyl-4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
CID 54817007
N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]azetidine-1-carboxamide
CID 75461838
2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)acetamide
CID 2402749
N-[2-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide
CID 154835775
2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 22199883
2-methyl-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-5-carboxamide
CID 110387916
3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110794896
4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34304149
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 110387930
N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 166325010

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-2-methyl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-2-methyl-1,3-benzoxazole-5-carboxamide (CID 166219373) is N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-2-methyl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-2-methyl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-2-methyl-1,3-benzoxazole-5-carboxamide is Cc1nc2cc(C(=O)NCc3ccc(NC(=O)CN4CCc5ccccc54)cc3)ccc2o1.
What is the InChIKey of N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-2-methyl-1,3-benzoxazole-5-carboxamide?
The InChIKey is URGUDKRHSZBCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-17-28-22-14-20(8-11-24(22)33-17)26(32)27-15-18-6-9-21(10-7-18)29-25(31)16-30-13-12-19-4-2-3-5-23(19)30/h2-11,14H,12-13,15-16H2,1H3,(H,27,32)(H,29,31).
What are the key properties of N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-2-methyl-1,3-benzoxazole-5-carboxamide?
N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-2-methyl-1,3-benzoxazole-5-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-2-methyl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 166219373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).