2-amino-3-(1H-indol-3-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

C14H15N5O2 — CID 114350943

IUPAC2-amino-3-(1H-indol-3-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(NC(=O)C(N)Cc2c[nH]c3ccccc23)n1
InChIInChI=1S/C14H15N5O2/c1-8-17-14(21-19-8)18-13(20)11(15)6-9-7-16-12-5-3-2-4-10(9)12/h2-5,7,11,16H,6,15H2,1H3,(H,17,18,19,20)
InChIKeyOBISQANLBAJVQZ-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.37
Rot. Bonds4

About 2-amino-3-(1H-indol-3-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

2-amino-3-(1H-indol-3-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 114350943) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-amino-3-(1H-indol-3-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-(1H-indol-3-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID114350943
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-amino-3-(1H-indol-3-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(NC(=O)C(N)Cc2c[nH]c3ccccc23)n1
InChIInChI=1S/C14H15N5O2/c1-8-17-14(21-19-8)18-13(20)11(15)6-9-7-16-12-5-3-2-4-10(9)12/h2-5,7,11,16H,6,15H2,1H3,(H,17,18,19,20)
InChIKeyOBISQANLBAJVQZ-UHFFFAOYSA-N
XLogP1.37
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-3-(1H-indol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 104910728
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)propanamide;hydrochloride
CID 154914165
2-amino-3-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 43841967
(2S)-2-amino-3-(1H-indol-3-yl)-N-(1,3-oxazol-5-yl)propanamide
CID 110837878
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
2-amino-N-(1H-imidazol-2-yl)-3-(1H-indol-3-yl)propanamide
CID 76999319
[2-(1H-indol-3-yl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid
CID 68787766
2-amino-3-(1H-indol-3-yl)-N-(2-methyltetrazol-5-yl)propanamide
CID 114350844
(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 83020765
2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide
CID 114350832
(2S)-2-amino-N-(2,6-dichlorophenyl)-3-(1H-indol-3-yl)propanamide
CID 22691619
5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid
CID 91013760

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-indol-3-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of 2-amino-3-(1H-indol-3-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (CID 114350943) is 2-amino-3-(1H-indol-3-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for 2-amino-3-(1H-indol-3-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for 2-amino-3-(1H-indol-3-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is Cc1noc(NC(=O)C(N)Cc2c[nH]c3ccccc23)n1.
What is the InChIKey of 2-amino-3-(1H-indol-3-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is OBISQANLBAJVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-8-17-14(21-19-8)18-13(20)11(15)6-9-7-16-12-5-3-2-4-10(9)12/h2-5,7,11,16H,6,15H2,1H3,(H,17,18,19,20).
What are the key properties of 2-amino-3-(1H-indol-3-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
2-amino-3-(1H-indol-3-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 285.31 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-indol-3-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 114350943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).