2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-pentadecyl-1,3-oxazole-4-carboxamide

C29H44N4O2 — CID 3303836

IUPAC2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-pentadecyl-1,3-oxazole-4-carboxamide
SMILESCCCCCCCCCCCCCCCNC(=O)c1coc(C(N)Cc2c[nH]c3ccccc23)n1
InChIInChI=1S/C29H44N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-31-28(34)27-22-35-29(33-27)25(30)20-23-21-32-26-18-15-14-17-24(23)26/h14-15,17-18,21-22,25,32H,2-13,16,19-20,30H2,1H3,(H,31,34)
InChIKeyRTCWUHHGIIDXPG-UHFFFAOYSA-N
MW480.70 g/mol
LogP7.22
Rot. Bonds18

About 2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-pentadecyl-1,3-oxazole-4-carboxamide

2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-pentadecyl-1,3-oxazole-4-carboxamide (PubChem CID 3303836) has the molecular formula C29H44N4O2 and a molecular weight of 480.70 g/mol. Its IUPAC name is 2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-pentadecyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-pentadecyl-1,3-oxazole-4-carboxamide
PubChem CID3303836
Molecular FormulaC29H44N4O2
Molecular Weight480.70 g/mol
Exact Mass480.35
IUPAC Name2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-pentadecyl-1,3-oxazole-4-carboxamide
SMILESCCCCCCCCCCCCCCCNC(=O)c1coc(C(N)Cc2c[nH]c3ccccc23)n1
InChIInChI=1S/C29H44N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-31-28(34)27-22-35-29(33-27)25(30)20-23-21-32-26-18-15-14-17-24(23)26/h14-15,17-18,21-22,25,32H,2-13,16,19-20,30H2,1H3,(H,31,34)
InChIKeyRTCWUHHGIIDXPG-UHFFFAOYSA-N
XLogP7.22
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.70
LogP ≤ 57.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3833207
2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3807076
butyl 2-[[2-(1-amino-2-phenylethyl)-1,3-oxazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 4596844
2-(1-amino-3-methylbutyl)-N-decyl-1,3-oxazole-4-carboxamide
CID 3866536
(1S)-2-(1H-indol-3-yl)-1-(4-methyl-1,3-oxazol-2-yl)ethanamine
CID 82387349
2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide
CID 5160787
ethyl 2-[[2-[1-amino-2-(1H-indol-3-yl)ethyl]-1,3-oxazole-4-carbonyl]amino]-6-[(4-methylphenyl)sulfonylamino]hexanoate
CID 3311268
butyl 2-[[2-(1-aminoethyl)-1,3-oxazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 3333545
2-(1-amino-2-methylpropyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3839797
ethyl 2-[[2-(1-amino-2-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 3782207
2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide
CID 3868124
2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 75973820

Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-pentadecyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-pentadecyl-1,3-oxazole-4-carboxamide (CID 3303836) is 2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-pentadecyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-pentadecyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-pentadecyl-1,3-oxazole-4-carboxamide is CCCCCCCCCCCCCCCNC(=O)c1coc(C(N)Cc2c[nH]c3ccccc23)n1.
What is the InChIKey of 2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-pentadecyl-1,3-oxazole-4-carboxamide?
The InChIKey is RTCWUHHGIIDXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-31-28(34)27-22-35-29(33-27)25(30)20-23-21-32-26-18-15-14-17-24(23)26/h14-15,17-18,21-22,25,32H,2-13,16,19-20,30H2,1H3,(H,31,34).
What are the key properties of 2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-pentadecyl-1,3-oxazole-4-carboxamide?
2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-pentadecyl-1,3-oxazole-4-carboxamide has a molecular weight of 480.70 g/mol, XLogP of 7.22, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-pentadecyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3303836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).