tert-butyl 2-[[2-methoxy-5-[[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate

C34H38N4O6 — CID 57290792

IUPACtert-butyl 2-[[2-methoxy-5-[[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1OCC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C34H38N4O6/c1-21-18-25(31-35-22(2)44-37-31)13-15-28(21)23-9-11-24(12-10-23)32(39)36-26-14-16-29(41-6)30(19-26)42-20-27-8-7-17-38(27)33(40)43-34(3,4)5/h9-16,18-19,27H,7-8,17,20H2,1-6H3,(H,36,39)
InChIKeyYTFSUZGNYQWOLX-UHFFFAOYSA-N
MW598.70 g/mol
LogP7.06
Rot. Bonds8

About tert-butyl 2-[[2-methoxy-5-[[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate

tert-butyl 2-[[2-methoxy-5-[[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate (PubChem CID 57290792) has the molecular formula C34H38N4O6 and a molecular weight of 598.70 g/mol. Its IUPAC name is tert-butyl 2-[[2-methoxy-5-[[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[2-methoxy-5-[[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate
PubChem CID57290792
Molecular FormulaC34H38N4O6
Molecular Weight598.70 g/mol
Exact Mass598.28
IUPAC Nametert-butyl 2-[[2-methoxy-5-[[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1OCC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C34H38N4O6/c1-21-18-25(31-35-22(2)44-37-31)13-15-28(21)23-9-11-24(12-10-23)32(39)36-26-14-16-29(41-6)30(19-26)42-20-27-8-7-17-38(27)33(40)43-34(3,4)5/h9-16,18-19,27H,7-8,17,20H2,1-6H3,(H,36,39)
InChIKeyYTFSUZGNYQWOLX-UHFFFAOYSA-N
XLogP7.06
TPSA116.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.70
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 2-[[2-methoxy-5-[[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[2-methoxy-5-[[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoyl]amino]phenyl]piperidine-1-carboxylate
CID 54004051
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide;dihydrochloride
CID 24848519
4-[2-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoic acid
CID 169094894
4-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]benzene-1,3-dicarboxylic acid
CID 69334242
N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53039444
tert-butyl (2S)-2-[(3-methyl-1,2-oxazol-5-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 56950044
(4-tert-butylphenyl)-[(2R)-2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 98042149
N-[4-[2-(dimethylamino)ethyl]-3-oxo-1,4-benzoxazin-6-yl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 18914075
N-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829226
tert-butyl (2S)-2-[(3-methoxyquinoxalin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 97168351
tert-butyl 2-[[2-tert-butyl-4-[[2-(pyridin-4-ylmethylamino)pyridine-3-carbonyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate
CID 22249195
tert-butyl 2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 68999157

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-methoxy-5-[[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[2-methoxy-5-[[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate (CID 57290792) is tert-butyl 2-[[2-methoxy-5-[[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[2-methoxy-5-[[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[2-methoxy-5-[[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate is COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1OCC1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[2-methoxy-5-[[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate?
The InChIKey is YTFSUZGNYQWOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4O6/c1-21-18-25(31-35-22(2)44-37-31)13-15-28(21)23-9-11-24(12-10-23)32(39)36-26-14-16-29(41-6)30(19-26)42-20-27-8-7-17-38(27)33(40)43-34(3,4)5/h9-16,18-19,27H,7-8,17,20H2,1-6H3,(H,36,39).
What are the key properties of tert-butyl 2-[[2-methoxy-5-[[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[[2-methoxy-5-[[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate has a molecular weight of 598.70 g/mol, XLogP of 7.06, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[2-methoxy-5-[[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 57290792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).