tert-butyl N-[(2R)-4-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]-1-hydroxy-2-methylbutan-2-yl]carbamate

C21H26N2O5 — CID 91240404

IUPACtert-butyl N-[(2R)-4-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]-1-hydroxy-2-methylbutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@](C)(CO)CCc1cccc2oc(-c3ccco3)nc12
InChIInChI=1S/C21H26N2O5/c1-20(2,3)28-19(25)23-21(4,13-24)11-10-14-7-5-8-15-17(14)22-18(27-15)16-9-6-12-26-16/h5-9,12,24H,10-11,13H2,1-4H3,(H,23,25)/t21-/m1/s1
InChIKeyQWQBYLLATOFRNS-OAQYLSRUSA-N
MW386.45 g/mol
LogP4.30
Rot. Bonds6

About tert-butyl N-[(2R)-4-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]-1-hydroxy-2-methylbutan-2-yl]carbamate

tert-butyl N-[(2R)-4-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]-1-hydroxy-2-methylbutan-2-yl]carbamate (PubChem CID 91240404) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is tert-butyl N-[(2R)-4-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]-1-hydroxy-2-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-4-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]-1-hydroxy-2-methylbutan-2-yl]carbamate
PubChem CID91240404
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Nametert-butyl N-[(2R)-4-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]-1-hydroxy-2-methylbutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@](C)(CO)CCc1cccc2oc(-c3ccco3)nc12
InChIInChI=1S/C21H26N2O5/c1-20(2,3)28-19(25)23-21(4,13-24)11-10-14-7-5-8-15-17(14)22-18(27-15)16-9-6-12-26-16/h5-9,12,24H,10-11,13H2,1-4H3,(H,23,25)/t21-/m1/s1
InChIKeyQWQBYLLATOFRNS-OAQYLSRUSA-N
XLogP4.30
TPSA97.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(2R)-4-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]-1-hydroxy-2-methylbutan-2-yl]carbamate with MolForge

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Related Compounds

methyl 2-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]acetate
CID 139676404
tert-butyl N-[(2R)-4-[2-(5-fluoropentoxy)phenyl]-1-hydroxy-2-methylbutan-2-yl]carbamate
CID 141084350
tert-butyl N-[(2S)-4-(4-bromo-2-chlorophenyl)-1-hydroxy-2-methylbutan-2-yl]carbamate
CID 67286977
2-amino-4-[2-(furan-2-yl)-1,3-benzoxazol-5-yl]-2-methylbutan-1-ol
CID 68764801
tert-butyl N-[4-amino-2-(furan-2-yl)butan-2-yl]carbamate
CID 83693340
tert-butyl N-(4-bromo-1,3-benzoxazol-2-yl)carbamate
CID 163409910
methyl 2-[2-(3-chlorothiophen-2-yl)-1,3-benzoxazol-4-yl]acetate
CID 139676391
3-[2-(furan-2-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881140
tert-butyl N-[(1R)-1-[2-(furan-2-yl)quinolin-4-yl]-2-hydroxyethyl]carbamate
CID 102304585
tert-butyl N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]carbamate
CID 153040099
ethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate
CID 86067764
3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
CID 82127717

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-4-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]-1-hydroxy-2-methylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-4-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]-1-hydroxy-2-methylbutan-2-yl]carbamate (CID 91240404) is tert-butyl N-[(2R)-4-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]-1-hydroxy-2-methylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-4-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]-1-hydroxy-2-methylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-4-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]-1-hydroxy-2-methylbutan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@](C)(CO)CCc1cccc2oc(-c3ccco3)nc12.
What is the InChIKey of tert-butyl N-[(2R)-4-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]-1-hydroxy-2-methylbutan-2-yl]carbamate?
The InChIKey is QWQBYLLATOFRNS-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-20(2,3)28-19(25)23-21(4,13-24)11-10-14-7-5-8-15-17(14)22-18(27-15)16-9-6-12-26-16/h5-9,12,24H,10-11,13H2,1-4H3,(H,23,25)/t21-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-4-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]-1-hydroxy-2-methylbutan-2-yl]carbamate?
tert-butyl N-[(2R)-4-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]-1-hydroxy-2-methylbutan-2-yl]carbamate has a molecular weight of 386.45 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-4-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]-1-hydroxy-2-methylbutan-2-yl]carbamate is sourced from PubChem (CID 91240404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).