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

C16H14N4O3 — CID 71935122

IUPAC(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide
SMILESNC(=O)[C@@H]1Cc2ccccc2N1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C16H14N4O3/c17-15(21)12-8-10-4-1-2-5-11(10)20(12)9-14-18-16(19-23-14)13-6-3-7-22-13/h1-7,12H,8-9H2,(H2,17,21)/t12-/m0/s1
InChIKeyRWESRHQVJINAQY-LBPRGKRZSA-N
MW310.31 g/mol
LogP1.75
Rot. Bonds4

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

(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 71935122) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is (2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide
PubChem CID71935122
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide
SMILESNC(=O)[C@@H]1Cc2ccccc2N1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C16H14N4O3/c17-15(21)12-8-10-4-1-2-5-11(10)20(12)9-14-18-16(19-23-14)13-6-3-7-22-13/h1-7,12H,8-9H2,(H2,17,21)/t12-/m0/s1
InChIKeyRWESRHQVJINAQY-LBPRGKRZSA-N
XLogP1.75
TPSA98.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide with MolForge

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Related Compounds

3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 37202045
(3R)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 94343776
5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 134019522
5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 25342936
(3S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 87040166
3-(furan-2-yl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole
CID 51076543
(2S)-1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-2,3-dihydroindole-2-carboxamide
CID 126767787
[(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methylurea
CID 95382626
[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 42946093
methyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate
CID 37258274
1-cyclopropyl-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
CID 87022799
(3S,4S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120953784

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide (CID 71935122) is (2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide is NC(=O)[C@@H]1Cc2ccccc2N1Cc1nc(-c2ccco2)no1.
What is the InChIKey of (2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is RWESRHQVJINAQY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H14N4O3/c17-15(21)12-8-10-4-1-2-5-11(10)20(12)9-14-18-16(19-23-14)13-6-3-7-22-13/h1-7,12H,8-9H2,(H2,17,21)/t12-/m0/s1.
What are the key properties of (2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide?
(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 71935122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).