[2-(1H-indol-3-yl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid

C14H14N4O3 — CID 68787766

IUPAC[2-(1H-indol-3-yl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid
SMILESCc1noc(C(Cc2c[nH]c3ccccc23)NC(=O)O)n1
InChIInChI=1S/C14H14N4O3/c1-8-16-13(21-18-8)12(17-14(19)20)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7,12,15,17H,6H2,1H3,(H,19,20)
InChIKeyXUEQUJUXXOKUHB-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.41
Rot. Bonds4

About [2-(1H-indol-3-yl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid

[2-(1H-indol-3-yl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid (PubChem CID 68787766) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid
PubChem CID68787766
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name[2-(1H-indol-3-yl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid
SMILESCc1noc(C(Cc2c[nH]c3ccccc23)NC(=O)O)n1
InChIInChI=1S/C14H14N4O3/c1-8-16-13(21-18-8)12(17-14(19)20)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7,12,15,17H,6H2,1H3,(H,19,20)
InChIKeyXUEQUJUXXOKUHB-UHFFFAOYSA-N
XLogP2.41
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(1H-indol-3-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 114350943
[(1R)-2-(1H-indol-3-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethyl]carbamic acid
CID 68974832
N-[(1S)-2-(1H-indol-3-yl)-1-(4-methylquinolin-2-yl)ethyl]acetamide
CID 154715387
5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790745
[1-carboxy-2-(1H-indol-3-yl)ethyl]azanium
CID 5460842
N-[1-(1H-benzimidazol-2-yl)-2-(1H-indol-3-yl)ethyl]benzamide
CID 3582836
N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 41091001
2-(1H-indol-3-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 43420110
ethyl 2-[(1R)-2-(1H-indol-3-yl)-1-[[(2S)-4-methyl-2-[(2-phenylacetyl)amino]pentanoyl]amino]ethyl]-5-methyl-1,3-oxazole-4-carboxylate
CID 67778837
(2S)-N-[(1S)-1-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-indol-3-yl)ethyl]-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 138688928
(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
CID 159251038
N-[(1R)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 136763644

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid?
The IUPAC name of [2-(1H-indol-3-yl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid (CID 68787766) is [2-(1H-indol-3-yl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid.
What is the SMILES notation for [2-(1H-indol-3-yl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid?
The canonical SMILES for [2-(1H-indol-3-yl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid is Cc1noc(C(Cc2c[nH]c3ccccc23)NC(=O)O)n1.
What is the InChIKey of [2-(1H-indol-3-yl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid?
The InChIKey is XUEQUJUXXOKUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-8-16-13(21-18-8)12(17-14(19)20)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7,12,15,17H,6H2,1H3,(H,19,20).
What are the key properties of [2-(1H-indol-3-yl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid?
[2-(1H-indol-3-yl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid has a molecular weight of 286.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid is sourced from PubChem (CID 68787766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).