ethyl 4-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]cyclohex-3-ene-1-carboxylate

C32H30Cl2N2O5 — CID 146531500

IUPACethyl 4-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]cyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)C1CC=C(N2C(=O)C3(CC3)c3cc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)ccc32)CC1
InChIInChI=1S/C32H30Cl2N2O5/c1-2-39-30(37)19-8-10-20(11-9-19)36-26-13-12-21(16-23(26)32(14-15-32)31(36)38)40-17-22-28(35-41-29(22)18-6-7-18)27-24(33)4-3-5-25(27)34/h3-5,10,12-13,16,18-19H,2,6-9,11,14-15,17H2,1H3
InChIKeyWRHLDXGKMWERKC-UHFFFAOYSA-N
MW593.51 g/mol
LogP7.73
Rot. Bonds8

About ethyl 4-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]cyclohex-3-ene-1-carboxylate

ethyl 4-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]cyclohex-3-ene-1-carboxylate (PubChem CID 146531500) has the molecular formula C32H30Cl2N2O5 and a molecular weight of 593.51 g/mol. Its IUPAC name is ethyl 4-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]cyclohex-3-ene-1-carboxylate
PubChem CID146531500
Molecular FormulaC32H30Cl2N2O5
Molecular Weight593.51 g/mol
Exact Mass592.15
IUPAC Nameethyl 4-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]cyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)C1CC=C(N2C(=O)C3(CC3)c3cc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)ccc32)CC1
InChIInChI=1S/C32H30Cl2N2O5/c1-2-39-30(37)19-8-10-20(11-9-19)36-26-13-12-21(16-23(26)32(14-15-32)31(36)38)40-17-22-28(35-41-29(22)18-6-7-18)27-24(33)4-3-5-25(27)34/h3-5,10,12-13,16,18-19H,2,6-9,11,14-15,17H2,1H3
InChIKeyWRHLDXGKMWERKC-UHFFFAOYSA-N
XLogP7.73
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.51
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]cyclohex-3-ene-1-carboxylate with MolForge

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Related Compounds

methyl 6-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]pyridine-3-carboxylate
CID 146531688
1'-(6-acetyl-1,3-benzothiazol-2-yl)-5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]spiro[cyclopropane-1,3'-indole]-2'-one;4-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]butanoic acid;4-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]cyclohex-3-ene-1-carboxylic acid;3-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]propanoic acid
CID 158502607
3-[[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopentane-1,3'-indole]-1'-yl]methyl]benzoic acid
CID 146531367
4-[[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]methyl]benzoic acid;[3-[[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]methyl]phenyl] formate;[3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]phenyl] formate;[3-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]phenyl] formate
CID 159631222
3-[[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxospiro[1H-indene-3,1'-cyclopropane]-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 149104814
1-bromo-3-methylbenzene;carbon dioxide;3-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]benzoic acid;5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one;methane;methyl 3-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]benzoate
CID 158707121
5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-1H-indol-2-one;3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoic acid;methyl 3-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3-dimethyl-2-oxoindol-1-yl]benzoate
CID 160515779
2-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-5,6-dihydrobenzo[b][1]benzoxepine-9-carboxylic acid
CID 134215033
4-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-2-hydroxybenzoic acid
CID 146531711
4-[(2S)-2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoic acid
CID 171744983
6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 175734338
4-[4-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-4-hydroxypiperidin-1-yl]benzoic acid
CID 121427664

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]cyclohex-3-ene-1-carboxylate?
The IUPAC name of ethyl 4-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]cyclohex-3-ene-1-carboxylate (CID 146531500) is ethyl 4-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for ethyl 4-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]cyclohex-3-ene-1-carboxylate?
The canonical SMILES for ethyl 4-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]cyclohex-3-ene-1-carboxylate is CCOC(=O)C1CC=C(N2C(=O)C3(CC3)c3cc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)ccc32)CC1.
What is the InChIKey of ethyl 4-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]cyclohex-3-ene-1-carboxylate?
The InChIKey is WRHLDXGKMWERKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30Cl2N2O5/c1-2-39-30(37)19-8-10-20(11-9-19)36-26-13-12-21(16-23(26)32(14-15-32)31(36)38)40-17-22-28(35-41-29(22)18-6-7-18)27-24(33)4-3-5-25(27)34/h3-5,10,12-13,16,18-19H,2,6-9,11,14-15,17H2,1H3.
What are the key properties of ethyl 4-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]cyclohex-3-ene-1-carboxylate?
ethyl 4-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]cyclohex-3-ene-1-carboxylate has a molecular weight of 593.51 g/mol, XLogP of 7.73, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 146531500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).