ethyl 1-[(1S,2S)-1-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-2-methylcyclopropyl]-5-[(7S)-4-oxaspiro[2.5]octan-7-yl]indole-2-carboxylate

C24H29N3O5 — CID 177358965

IUPACethyl 1-[(1S,2S)-1-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-2-methylcyclopropyl]-5-[(7S)-4-oxaspiro[2.5]octan-7-yl]indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc([C@H]3CCOC4(CC4)C3)ccc2n1[C@@]1(C2=NC(O)ON2)C[C@@H]1C
InChIInChI=1S/C24H29N3O5/c1-3-30-20(28)19-11-17-10-15(16-6-9-31-23(13-16)7-8-23)4-5-18(17)27(19)24(12-14(24)2)21-25-22(29)32-26-21/h4-5,10-11,14,16,22,29H,3,6-9,12-13H2,1-2H3,(H,25,26)/t14-,16-,22?,24-/m0/s1
InChIKeyZMVAXFLEEFHQKC-QLULDLEUSA-N
MW439.51 g/mol
LogP3.19
Rot. Bonds5

About ethyl 1-[(1S,2S)-1-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-2-methylcyclopropyl]-5-[(7S)-4-oxaspiro[2.5]octan-7-yl]indole-2-carboxylate

ethyl 1-[(1S,2S)-1-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-2-methylcyclopropyl]-5-[(7S)-4-oxaspiro[2.5]octan-7-yl]indole-2-carboxylate (PubChem CID 177358965) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is ethyl 1-[(1S,2S)-1-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-2-methylcyclopropyl]-5-[(7S)-4-oxaspiro[2.5]octan-7-yl]indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1S,2S)-1-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-2-methylcyclopropyl]-5-[(7S)-4-oxaspiro[2.5]octan-7-yl]indole-2-carboxylate
PubChem CID177358965
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Nameethyl 1-[(1S,2S)-1-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-2-methylcyclopropyl]-5-[(7S)-4-oxaspiro[2.5]octan-7-yl]indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc([C@H]3CCOC4(CC4)C3)ccc2n1[C@@]1(C2=NC(O)ON2)C[C@@H]1C
InChIInChI=1S/C24H29N3O5/c1-3-30-20(28)19-11-17-10-15(16-6-9-31-23(13-16)7-8-23)4-5-18(17)27(19)24(12-14(24)2)21-25-22(29)32-26-21/h4-5,10-11,14,16,22,29H,3,6-9,12-13H2,1-2H3,(H,25,26)/t14-,16-,22?,24-/m0/s1
InChIKeyZMVAXFLEEFHQKC-QLULDLEUSA-N
XLogP3.19
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[(1S,2S)-1-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-2-methylcyclopropyl]-5-[(7S)-4-oxaspiro[2.5]octan-7-yl]indole-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-[(1S,2S)-1-carbamoyl-2-methylcyclopropyl]-5-(4-oxaspiro[2.5]octan-7-yl)indole-2-carboxylate
CID 177289005
ethyl 1-[(1S,2S)-2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]-5-(4-oxaspiro[2.5]octan-7-yl)indole-2-carboxylate
CID 177289025
ethyl 1-[(1R,2S)-1-(N'-hydroxycarbamimidoyl)-2-methylcyclopropyl]-5-[(7R)-4-oxaspiro[2.5]octan-7-yl]indole-2-carboxylate
CID 177288686
ethyl 1-(1-carbamoylcyclopropyl)-5-(2,2-dimethyloxan-4-yl)indole-2-carboxylate
CID 167358634
ethyl 1-(cyanomethyl)-5-[(7S)-4-oxaspiro[2.5]octan-7-yl]indole-2-carboxylate
CID 177289077
ethyl 1-(1-cyanocyclobutyl)-5-(oxan-4-yl)indole-2-carboxylate
CID 162752472
ethyl 1-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutyl]-5-(oxan-4-yl)indole-2-carboxylate
CID 166986443
ethyl 1-cyclopropylsulfonyl-5-(oxan-4-yl)indole-2-carboxylate
CID 178096391
ethyl 1-(cyanomethyl)-5-(oxan-4-yl)indole-2-carboxylate
CID 156821165
5-[(2S)-2-methyloxan-4-yl]-1-[(1S,2S)-2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]indole-2-carboxylic acid
CID 170528971
ethyl 1-[(1S,2S)-1-[1-amino-2-(hydroxyamino)-2-methylpropyl]-2-methylcyclopropyl]-5-[(4R)-2,2-dimethyloxan-4-yl]-7-fluoroindole-2-carboxylate
CID 177288989
5-[(4S)-2,2-dimethyloxan-4-yl]-1-[(1S,2S)-2-methyl-1-[5-(oxomethylidene)-2H-1,2,4-oxadiazol-3-yl]cyclopropyl]benzimidazole-2-carboxylic acid
CID 176542045

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1S,2S)-1-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-2-methylcyclopropyl]-5-[(7S)-4-oxaspiro[2.5]octan-7-yl]indole-2-carboxylate?
The IUPAC name of ethyl 1-[(1S,2S)-1-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-2-methylcyclopropyl]-5-[(7S)-4-oxaspiro[2.5]octan-7-yl]indole-2-carboxylate (CID 177358965) is ethyl 1-[(1S,2S)-1-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-2-methylcyclopropyl]-5-[(7S)-4-oxaspiro[2.5]octan-7-yl]indole-2-carboxylate.
What is the SMILES notation for ethyl 1-[(1S,2S)-1-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-2-methylcyclopropyl]-5-[(7S)-4-oxaspiro[2.5]octan-7-yl]indole-2-carboxylate?
The canonical SMILES for ethyl 1-[(1S,2S)-1-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-2-methylcyclopropyl]-5-[(7S)-4-oxaspiro[2.5]octan-7-yl]indole-2-carboxylate is CCOC(=O)c1cc2cc([C@H]3CCOC4(CC4)C3)ccc2n1[C@@]1(C2=NC(O)ON2)C[C@@H]1C.
What is the InChIKey of ethyl 1-[(1S,2S)-1-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-2-methylcyclopropyl]-5-[(7S)-4-oxaspiro[2.5]octan-7-yl]indole-2-carboxylate?
The InChIKey is ZMVAXFLEEFHQKC-QLULDLEUSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-3-30-20(28)19-11-17-10-15(16-6-9-31-23(13-16)7-8-23)4-5-18(17)27(19)24(12-14(24)2)21-25-22(29)32-26-21/h4-5,10-11,14,16,22,29H,3,6-9,12-13H2,1-2H3,(H,25,26)/t14-,16-,22?,24-/m0/s1.
What are the key properties of ethyl 1-[(1S,2S)-1-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-2-methylcyclopropyl]-5-[(7S)-4-oxaspiro[2.5]octan-7-yl]indole-2-carboxylate?
ethyl 1-[(1S,2S)-1-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-2-methylcyclopropyl]-5-[(7S)-4-oxaspiro[2.5]octan-7-yl]indole-2-carboxylate has a molecular weight of 439.51 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1S,2S)-1-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-2-methylcyclopropyl]-5-[(7S)-4-oxaspiro[2.5]octan-7-yl]indole-2-carboxylate is sourced from PubChem (CID 177358965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).