(2S)-5-chloro-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide

C18H21ClN4O2 — CID 125169074

IUPAC(2S)-5-chloro-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NCc1nc(C2CCCCC2)no1)[C@@H]1Cc2cc(Cl)ccc2N1
InChIInChI=1S/C18H21ClN4O2/c19-13-6-7-14-12(8-13)9-15(21-14)18(24)20-10-16-22-17(23-25-16)11-4-2-1-3-5-11/h6-8,11,15,21H,1-5,9-10H2,(H,20,24)/t15-/m0/s1
InChIKeyFCWUALLGPDMNGI-HNNXBMFYSA-N
MW360.85 g/mol
LogP3.42
Rot. Bonds4

About (2S)-5-chloro-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide

(2S)-5-chloro-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 125169074) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is (2S)-5-chloro-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-chloro-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID125169074
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name(2S)-5-chloro-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NCc1nc(C2CCCCC2)no1)[C@@H]1Cc2cc(Cl)ccc2N1
InChIInChI=1S/C18H21ClN4O2/c19-13-6-7-14-12(8-13)9-15(21-14)18(24)20-10-16-22-17(23-25-16)11-4-2-1-3-5-11/h6-8,11,15,21H,1-5,9-10H2,(H,20,24)/t15-/m0/s1
InChIKeyFCWUALLGPDMNGI-HNNXBMFYSA-N
XLogP3.42
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-chloro-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-5-chloro-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 125169074) is (2S)-5-chloro-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-5-chloro-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-5-chloro-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide is O=C(NCc1nc(C2CCCCC2)no1)[C@@H]1Cc2cc(Cl)ccc2N1.
What is the InChIKey of (2S)-5-chloro-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is FCWUALLGPDMNGI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c19-13-6-7-14-12(8-13)9-15(21-14)18(24)20-10-16-22-17(23-25-16)11-4-2-1-3-5-11/h6-8,11,15,21H,1-5,9-10H2,(H,20,24)/t15-/m0/s1.
What are the key properties of (2S)-5-chloro-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-5-chloro-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-chloro-N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 125169074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).