(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-3-carboxamide

C15H18N4O2 — CID 95900544

IUPAC(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-3-carboxamide
SMILESCCCc1noc(CN2C[C@@H](C(N)=O)c3ccccc32)n1
InChIInChI=1S/C15H18N4O2/c1-2-5-13-17-14(21-18-13)9-19-8-11(15(16)20)10-6-3-4-7-12(10)19/h3-4,6-7,11H,2,5,8-9H2,1H3,(H2,16,20)/t11-/m1/s1
InChIKeyIMIZUJZOYJATPW-LLVKDONJSA-N
MW286.34 g/mol
LogP1.61
Rot. Bonds5

About (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-3-carboxamide

(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-3-carboxamide (PubChem CID 95900544) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-3-carboxamide
PubChem CID95900544
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-3-carboxamide
SMILESCCCc1noc(CN2C[C@@H](C(N)=O)c3ccccc32)n1
InChIInChI=1S/C15H18N4O2/c1-2-5-13-17-14(21-18-13)9-19-8-11(15(16)20)10-6-3-4-7-12(10)19/h3-4,6-7,11H,2,5,8-9H2,1H3,(H2,16,20)/t11-/m1/s1
InChIKeyIMIZUJZOYJATPW-LLVKDONJSA-N
XLogP1.61
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-3-carboxamide?
The IUPAC name of (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-3-carboxamide (CID 95900544) is (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-3-carboxamide.
What is the SMILES notation for (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-3-carboxamide?
The canonical SMILES for (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-3-carboxamide is CCCc1noc(CN2C[C@@H](C(N)=O)c3ccccc32)n1.
What is the InChIKey of (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-3-carboxamide?
The InChIKey is IMIZUJZOYJATPW-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-5-13-17-14(21-18-13)9-19-8-11(15(16)20)10-6-3-4-7-12(10)19/h3-4,6-7,11H,2,5,8-9H2,1H3,(H2,16,20)/t11-/m1/s1.
What are the key properties of (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-3-carboxamide?
(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-3-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-3-carboxamide is sourced from PubChem (CID 95900544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).