N-[(2-benzyl-1H-indol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide

C24H19N3O3 — CID 76853916

IUPACN-[(2-benzyl-1H-indol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCc1ccc2[nH]c(Cc3ccccc3)cc2c1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C24H19N3O3/c28-23(17-7-9-21-22(13-17)30-24(29)27-21)25-14-16-6-8-20-18(10-16)12-19(26-20)11-15-4-2-1-3-5-15/h1-10,12-13,26H,11,14H2,(H,25,28)(H,27,29)
InChIKeyMFLRSPYHFPLIPO-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.12
Rot. Bonds5

About N-[(2-benzyl-1H-indol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide

N-[(2-benzyl-1H-indol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide (PubChem CID 76853916) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[(2-benzyl-1H-indol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-[(2-benzyl-1H-indol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide
PubChem CID76853916
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC NameN-[(2-benzyl-1H-indol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCc1ccc2[nH]c(Cc3ccccc3)cc2c1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C24H19N3O3/c28-23(17-7-9-21-22(13-17)30-24(29)27-21)25-14-16-6-8-20-18(10-16)12-19(26-20)11-15-4-2-1-3-5-15/h1-10,12-13,26H,11,14H2,(H,25,28)(H,27,29)
InChIKeyMFLRSPYHFPLIPO-UHFFFAOYSA-N
XLogP4.12
TPSA90.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide
CID 110786482
4-(dimethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide
CID 110794915
N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-2-phenylacetamide
CID 110786737
1-methyl-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]urea
CID 115169173
3,4-dichloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110786732
N-benzyl-2-methyl-1H-indole-5-carboxamide
CID 110695037
1-benzyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 110411881
2-benzyl-N-hydroxy-1H-indole-6-carboxamide
CID 87783085
3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110786718
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110773952
methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate
CID 129094981
2-oxo-N-[(4-sulfamoylphenyl)methyl]-3H-1,3-benzoxazole-5-carboxamide
CID 110766627

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-1H-indol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-[(2-benzyl-1H-indol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide (CID 76853916) is N-[(2-benzyl-1H-indol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-[(2-benzyl-1H-indol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-[(2-benzyl-1H-indol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide is O=C(NCc1ccc2[nH]c(Cc3ccccc3)cc2c1)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of N-[(2-benzyl-1H-indol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide?
The InChIKey is MFLRSPYHFPLIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c28-23(17-7-9-21-22(13-17)30-24(29)27-21)25-14-16-6-8-20-18(10-16)12-19(26-20)11-15-4-2-1-3-5-15/h1-10,12-13,26H,11,14H2,(H,25,28)(H,27,29).
What are the key properties of N-[(2-benzyl-1H-indol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide?
N-[(2-benzyl-1H-indol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-1H-indol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 76853916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).