N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,2-oxazole-3-carboxamide

C21H20N6O3 — CID 23571026

IUPACN-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,2-oxazole-3-carboxamide
SMILESNCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3ccon3)c2c1)c1ccccc1
InChIInChI=1S/C21H20N6O3/c22-10-8-15(13-4-2-1-3-5-13)20(28)23-14-6-7-17-16(12-14)19(26-25-17)24-21(29)18-9-11-30-27-18/h1-7,9,11-12,15H,8,10,22H2,(H,23,28)(H2,24,25,26,29)
InChIKeyQRTOCZACGIBEPN-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.87
Rot. Bonds7

About N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,2-oxazole-3-carboxamide

N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 23571026) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID23571026
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC NameN-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,2-oxazole-3-carboxamide
SMILESNCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3ccon3)c2c1)c1ccccc1
InChIInChI=1S/C21H20N6O3/c22-10-8-15(13-4-2-1-3-5-13)20(28)23-14-6-7-17-16(12-14)19(26-25-17)24-21(29)18-9-11-30-27-18/h1-7,9,11-12,15H,8,10,22H2,(H,23,28)(H2,24,25,26,29)
InChIKeyQRTOCZACGIBEPN-UHFFFAOYSA-N
XLogP2.87
TPSA138.93 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1-methylpyrrole-2-carboxamide
CID 23571019
4-amino-2-(3,4-dichlorophenyl)-N-[3-(phenylcarbamoylamino)-1H-indazol-5-yl]butanamide
CID 10239139
4-amino-2-(3,4-dichlorophenyl)-N-[3-(3-phenylanilino)-1H-indazol-5-yl]butanamide
CID 23570856
4-amino-N-[3-(4-bromoanilino)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide
CID 10152751
N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-N-methylthiophene-2-carboxamide
CID 23571029
4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethyl)anilino]-1H-indazol-5-yl]butanamide
CID 23570859
4-amino-2-(3,4-dimethylphenyl)-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]butanamide
CID 142270961
4-amino-N-cinnolin-6-yl-2-phenylbutanamide
CID 67950451
4-amino-2-(3-methoxyphenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide
CID 23570880
4-amino-2-phenyl-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)butanamide
CID 10171713
N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 95027054
N-[5-[(3,4-dichlorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide
CID 22567162

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,2-oxazole-3-carboxamide (CID 23571026) is N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,2-oxazole-3-carboxamide is NCCC(C(=O)Nc1ccc2[nH]nc(NC(=O)c3ccon3)c2c1)c1ccccc1.
What is the InChIKey of N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is QRTOCZACGIBEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c22-10-8-15(13-4-2-1-3-5-13)20(28)23-14-6-7-17-16(12-14)19(26-25-17)24-21(29)18-9-11-30-27-18/h1-7,9,11-12,15H,8,10,22H2,(H,23,28)(H2,24,25,26,29).
What are the key properties of N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,2-oxazole-3-carboxamide?
N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 2.87, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23571026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).