tert-butyl N-[(1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]-[1]benzofuro[3,2-b]pyridin-6-yl]ethyl]carbamate

C27H30N4O4 — CID 177366817

IUPACtert-butyl N-[(1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]-[1]benzofuro[3,2-b]pyridin-6-yl]ethyl]carbamate
SMILESCc1cc([C@@H](C)NC(=O)OC(C)(C)C)c2oc3c(C45CC(c6nc(C)no6)(C4)C5)ccnc3c2c1
InChIInChI=1S/C27H30N4O4/c1-14-9-17(15(2)29-24(32)34-25(4,5)6)21-18(10-14)20-22(33-21)19(7-8-28-20)26-11-27(12-26,13-26)23-30-16(3)31-35-23/h7-10,15H,11-13H2,1-6H3,(H,29,32)/t15-,26?,27?/m1/s1
InChIKeyYSNUNPAJRGJAHY-GZAKMTIJSA-N
MW474.56 g/mol
LogP5.94
Rot. Bonds4

About tert-butyl N-[(1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]-[1]benzofuro[3,2-b]pyridin-6-yl]ethyl]carbamate

tert-butyl N-[(1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]-[1]benzofuro[3,2-b]pyridin-6-yl]ethyl]carbamate (PubChem CID 177366817) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]-[1]benzofuro[3,2-b]pyridin-6-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]-[1]benzofuro[3,2-b]pyridin-6-yl]ethyl]carbamate
PubChem CID177366817
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Nametert-butyl N-[(1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]-[1]benzofuro[3,2-b]pyridin-6-yl]ethyl]carbamate
SMILESCc1cc([C@@H](C)NC(=O)OC(C)(C)C)c2oc3c(C45CC(c6nc(C)no6)(C4)C5)ccnc3c2c1
InChIInChI=1S/C27H30N4O4/c1-14-9-17(15(2)29-24(32)34-25(4,5)6)21-18(10-14)20-22(33-21)19(7-8-28-20)26-11-27(12-26,13-26)23-30-16(3)31-35-23/h7-10,15H,11-13H2,1-6H3,(H,29,32)/t15-,26?,27?/m1/s1
InChIKeyYSNUNPAJRGJAHY-GZAKMTIJSA-N
XLogP5.94
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]-[1]benzofuro[3,2-b]pyridin-6-yl]ethyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-[8-methyl-6-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-[1]benzofuro[3,2-b]pyridin-4-yl]bicyclo[1.1.1]pentane-1-carboxylate
CID 177366737
tert-butyl N-[(1R)-1-(8-methyl-4-phenylmethoxy-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]carbamate
CID 177366694
tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 56770615
tert-butyl N-[(1R)-1-[2-fluoro-4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]carbamate
CID 90739985
tert-butyl N-[(1R)-1-[2-(4,4-difluorocyclohexyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]carbamate
CID 176864926
(1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.0]butanyl]-[1]benzofuro[3,2-c]pyridazin-6-yl]ethanamine
CID 177366740
tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate
CID 63789405
tert-butyl N-[(1S)-1-(2-chloro-5-fluoro-8-methylquinolin-3-yl)ethyl]carbamate
CID 140576941
tert-butyl N-[(1S)-1-[3-(2-chloro-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 162768021
methyl 6-chloro-3-[1-(8-methyl-4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl)ethylamino]pyridine-2-carboxylate
CID 177366659
2-[1-[8-methyl-4-[(3R)-oxolan-3-yl]-[1]benzofuro[3,2-b]pyridin-6-yl]ethylamino]benzoic acid
CID 177366706
tert-butyl N-[(1S)-1-[2-(difluoromethyl)pyrazol-3-yl]ethyl]carbamate
CID 166163893

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]-[1]benzofuro[3,2-b]pyridin-6-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]-[1]benzofuro[3,2-b]pyridin-6-yl]ethyl]carbamate (CID 177366817) is tert-butyl N-[(1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]-[1]benzofuro[3,2-b]pyridin-6-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]-[1]benzofuro[3,2-b]pyridin-6-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]-[1]benzofuro[3,2-b]pyridin-6-yl]ethyl]carbamate is Cc1cc([C@@H](C)NC(=O)OC(C)(C)C)c2oc3c(C45CC(c6nc(C)no6)(C4)C5)ccnc3c2c1.
What is the InChIKey of tert-butyl N-[(1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]-[1]benzofuro[3,2-b]pyridin-6-yl]ethyl]carbamate?
The InChIKey is YSNUNPAJRGJAHY-GZAKMTIJSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-14-9-17(15(2)29-24(32)34-25(4,5)6)21-18(10-14)20-22(33-21)19(7-8-28-20)26-11-27(12-26,13-26)23-30-16(3)31-35-23/h7-10,15H,11-13H2,1-6H3,(H,29,32)/t15-,26?,27?/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]-[1]benzofuro[3,2-b]pyridin-6-yl]ethyl]carbamate?
tert-butyl N-[(1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]-[1]benzofuro[3,2-b]pyridin-6-yl]ethyl]carbamate has a molecular weight of 474.56 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]-[1]benzofuro[3,2-b]pyridin-6-yl]ethyl]carbamate is sourced from PubChem (CID 177366817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).