N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-4-(1,3-oxazol-5-yl)benzamide

C25H21N3O2 — CID 55896611

IUPACN-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-4-(1,3-oxazol-5-yl)benzamide
SMILESO=C(Nc1ccccc1CN1CCc2ccccc21)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C25H21N3O2/c29-25(20-11-9-19(10-12-20)24-15-26-17-30-24)27-22-7-3-1-6-21(22)16-28-14-13-18-5-2-4-8-23(18)28/h1-12,15,17H,13-14,16H2,(H,27,29)
InChIKeyJUQPCOGCOLMLHP-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.16
Rot. Bonds5

About N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-4-(1,3-oxazol-5-yl)benzamide

N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-4-(1,3-oxazol-5-yl)benzamide (PubChem CID 55896611) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-4-(1,3-oxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-4-(1,3-oxazol-5-yl)benzamide
PubChem CID55896611
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC NameN-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-4-(1,3-oxazol-5-yl)benzamide
SMILESO=C(Nc1ccccc1CN1CCc2ccccc21)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C25H21N3O2/c29-25(20-11-9-19(10-12-20)24-15-26-17-30-24)27-22-7-3-1-6-21(22)16-28-14-13-18-5-2-4-8-23(18)28/h1-12,15,17H,13-14,16H2,(H,27,29)
InChIKeyJUQPCOGCOLMLHP-UHFFFAOYSA-N
XLogP5.16
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 51121393
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 51123734
3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide
CID 119853062
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylsulfanylbenzamide
CID 112846156
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55817081
N-(2-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide
CID 75461935
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 75502903
N-[5-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 52662597
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 60532329
2-[[4-(1,3-oxazol-5-yl)benzoyl]amino]-N-propylbenzamide
CID 47049831
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 60532053
N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 30394647

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-4-(1,3-oxazol-5-yl)benzamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-4-(1,3-oxazol-5-yl)benzamide (CID 55896611) is N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-4-(1,3-oxazol-5-yl)benzamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-4-(1,3-oxazol-5-yl)benzamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-4-(1,3-oxazol-5-yl)benzamide is O=C(Nc1ccccc1CN1CCc2ccccc21)c1ccc(-c2cnco2)cc1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-4-(1,3-oxazol-5-yl)benzamide?
The InChIKey is JUQPCOGCOLMLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c29-25(20-11-9-19(10-12-20)24-15-26-17-30-24)27-22-7-3-1-6-21(22)16-28-14-13-18-5-2-4-8-23(18)28/h1-12,15,17H,13-14,16H2,(H,27,29).
What are the key properties of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-4-(1,3-oxazol-5-yl)benzamide?
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-4-(1,3-oxazol-5-yl)benzamide has a molecular weight of 395.46 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-4-(1,3-oxazol-5-yl)benzamide is sourced from PubChem (CID 55896611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).