3-(1H-indol-3-yl)-1-N-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)propane-1,2-diamine

C23H21N5O — CID 67062617

IUPAC3-(1H-indol-3-yl)-1-N-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)propane-1,2-diamine
SMILESNC(CNc1cc(-c2ccc3cnccc3c2)no1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C23H21N5O/c24-19(10-18-13-26-21-4-2-1-3-20(18)21)14-27-23-11-22(28-29-23)16-5-6-17-12-25-8-7-15(17)9-16/h1-9,11-13,19,26-27H,10,14,24H2
InChIKeyBBMPNPKFHNBKRN-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.35
Rot. Bonds6

About 3-(1H-indol-3-yl)-1-N-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)propane-1,2-diamine

3-(1H-indol-3-yl)-1-N-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)propane-1,2-diamine (PubChem CID 67062617) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-N-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)propane-1,2-diamine.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-N-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)propane-1,2-diamine
PubChem CID67062617
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name3-(1H-indol-3-yl)-1-N-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)propane-1,2-diamine
SMILESNC(CNc1cc(-c2ccc3cnccc3c2)no1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C23H21N5O/c24-19(10-18-13-26-21-4-2-1-3-20(18)21)14-27-23-11-22(28-29-23)16-5-6-17-12-25-8-7-15(17)9-16/h1-9,11-13,19,26-27H,10,14,24H2
InChIKeyBBMPNPKFHNBKRN-UHFFFAOYSA-N
XLogP4.35
TPSA92.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(1H-indol-3-yl)-1-N-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)propane-1,2-diamine with MolForge

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Related Compounds

(2R)-3-(2-chlorophenyl)-1-N-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)propane-1,2-diamine
CID 67062725
(2R)-3-(1H-indol-3-yl)-1-N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)propane-1,2-diamine
CID 87648295
2-[(2S)-1-(1H-indol-3-yl)-3-[(3-isoquinolin-6-yl-1,2-oxazol-5-yl)amino]propan-2-yl]-4-nitrobenzenesulfonamide
CID 140542233
(2R)-1-(1H-indol-3-yl)-3-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]propan-2-amine
CID 10194205
[(2S)-3-(1H-indol-3-yl)-2-[(4-nitrophenyl)sulfonylamino]propyl]-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)carbamic acid
CID 67532558
(2S)-1-(1H-indol-3-yl)-3-[[5-(3-pyridin-4-ylisoquinolin-6-yl)-3-pyridinyl]oxy]propan-2-amine
CID 23647587
4-benzyl-N-[3-(1H-indol-3-yl)propyl]-3-isoquinolin-6-yl-1,2-oxazol-5-amine
CID 143747466
(2S)-1-(1H-indol-3-yl)-3-(6-pyridin-4-ylquinolin-3-yl)oxypropan-2-amine
CID 10150682
(2R)-6-(1H-indol-3-yl)-2-N-(isoquinolin-6-ylmethyl)hexane-2,4-diamine
CID 158689557
(2S)-1-N-[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]-3-(1H-indol-3-yl)propane-1,2-diamine
CID 23646974
(2S)-2-amino-3-(1H-indol-3-yl)propane-1-thiol
CID 141276823
(2S)-3-(1H-indol-3-yl)-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-(methylsulfonylmethylsulfonylamino)propanamide
CID 175597189

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-N-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)propane-1,2-diamine?
The IUPAC name of 3-(1H-indol-3-yl)-1-N-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)propane-1,2-diamine (CID 67062617) is 3-(1H-indol-3-yl)-1-N-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)propane-1,2-diamine.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-N-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)propane-1,2-diamine?
The canonical SMILES for 3-(1H-indol-3-yl)-1-N-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)propane-1,2-diamine is NC(CNc1cc(-c2ccc3cnccc3c2)no1)Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-1-N-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)propane-1,2-diamine?
The InChIKey is BBMPNPKFHNBKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c24-19(10-18-13-26-21-4-2-1-3-20(18)21)14-27-23-11-22(28-29-23)16-5-6-17-12-25-8-7-15(17)9-16/h1-9,11-13,19,26-27H,10,14,24H2.
What are the key properties of 3-(1H-indol-3-yl)-1-N-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)propane-1,2-diamine?
3-(1H-indol-3-yl)-1-N-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)propane-1,2-diamine has a molecular weight of 383.46 g/mol, XLogP of 4.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-N-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)propane-1,2-diamine is sourced from PubChem (CID 67062617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).