tert-butyl (2S)-2-[[4-[5-[4-[[(1R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentanecarbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate

C35H43N5O7 — CID 58533257

IUPACtert-butyl (2S)-2-[[4-[5-[4-[[(1R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentanecarbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC[C@H]1C(=O)Nc1ccc(-c2nnc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)OC(C)(C)C)cc3)o2)cc1
InChIInChI=1S/C35H43N5O7/c1-34(2,3)46-32(43)26-10-7-9-25(26)28(41)36-23-16-12-21(13-17-23)30-38-39-31(45-30)22-14-18-24(19-15-22)37-29(42)27-11-8-20-40(27)33(44)47-35(4,5)6/h12-19,25-27H,7-11,20H2,1-6H3,(H,36,41)(H,37,42)/t25-,26?,27+/m1/s1
InChIKeyATAGIKVJZSWXEB-HXMJJLHYSA-N
MW645.76 g/mol
LogP6.44
Rot. Bonds7

About tert-butyl (2S)-2-[[4-[5-[4-[[(1R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentanecarbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate

tert-butyl (2S)-2-[[4-[5-[4-[[(1R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentanecarbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 58533257) has the molecular formula C35H43N5O7 and a molecular weight of 645.76 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[4-[5-[4-[[(1R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentanecarbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[4-[5-[4-[[(1R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentanecarbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID58533257
Molecular FormulaC35H43N5O7
Molecular Weight645.76 g/mol
Exact Mass645.32
IUPAC Nametert-butyl (2S)-2-[[4-[5-[4-[[(1R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentanecarbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC[C@H]1C(=O)Nc1ccc(-c2nnc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)OC(C)(C)C)cc3)o2)cc1
InChIInChI=1S/C35H43N5O7/c1-34(2,3)46-32(43)26-10-7-9-25(26)28(41)36-23-16-12-21(13-17-23)30-38-39-31(45-30)22-14-18-24(19-15-22)37-29(42)27-11-8-20-40(27)33(44)47-35(4,5)6/h12-19,25-27H,7-11,20H2,1-6H3,(H,36,41)(H,37,42)/t25-,26?,27+/m1/s1
InChIKeyATAGIKVJZSWXEB-HXMJJLHYSA-N
XLogP6.44
TPSA152.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.76
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl (2S)-2-[[4-[5-[4-[[(1R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentanecarbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]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

(2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 53302967
(2S)-2-[[4-[5-[4-[[(2S)-1-carboxypyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 70941882
tert-butyl (2R)-2-[(4-carbamoylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 8023967
tert-butyl 2-[(4-cyanophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 68805308
tert-butyl (2S)-2-[(4-cyanophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 11922845
tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 797689
tert-butyl 2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2876068
tert-butyl (2S)-2-[[4-(hydroxymethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 172641100
tert-butyl (2S)-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 11101307
tert-butyl (2S)-2-[(4-phenoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 70174711
tert-butyl 2-[[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 155819065
tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate
CID 52774591

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[4-[5-[4-[[(1R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentanecarbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[[4-[5-[4-[[(1R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentanecarbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate (CID 58533257) is tert-butyl (2S)-2-[[4-[5-[4-[[(1R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentanecarbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[[4-[5-[4-[[(1R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentanecarbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[[4-[5-[4-[[(1R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentanecarbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)C1CCC[C@H]1C(=O)Nc1ccc(-c2nnc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)OC(C)(C)C)cc3)o2)cc1.
What is the InChIKey of tert-butyl (2S)-2-[[4-[5-[4-[[(1R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentanecarbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is ATAGIKVJZSWXEB-HXMJJLHYSA-N. The full InChI is InChI=1S/C35H43N5O7/c1-34(2,3)46-32(43)26-10-7-9-25(26)28(41)36-23-16-12-21(13-17-23)30-38-39-31(45-30)22-14-18-24(19-15-22)37-29(42)27-11-8-20-40(27)33(44)47-35(4,5)6/h12-19,25-27H,7-11,20H2,1-6H3,(H,36,41)(H,37,42)/t25-,26?,27+/m1/s1.
What are the key properties of tert-butyl (2S)-2-[[4-[5-[4-[[(1R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentanecarbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[[4-[5-[4-[[(1R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentanecarbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 645.76 g/mol, XLogP of 6.44, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[4-[5-[4-[[(1R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentanecarbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 58533257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).