tert-butyl N-[[5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate

C21H27N3O5 — CID 90292915

IUPACtert-butyl N-[[5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate
SMILESCc1noc(C)c1-c1ccccc1OCC1CC(CNC(=O)OC(C)(C)C)=NO1
InChIInChI=1S/C21H27N3O5/c1-13-19(14(2)28-23-13)17-8-6-7-9-18(17)26-12-16-10-15(24-29-16)11-22-20(25)27-21(3,4)5/h6-9,16H,10-12H2,1-5H3,(H,22,25)
InChIKeyGFNXUXQBCQLHRM-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.01
Rot. Bonds6

About tert-butyl N-[[5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate

tert-butyl N-[[5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate (PubChem CID 90292915) has the molecular formula C21H27N3O5 and a molecular weight of 401.46 g/mol. Its IUPAC name is tert-butyl N-[[5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate
PubChem CID90292915
Molecular FormulaC21H27N3O5
Molecular Weight401.46 g/mol
Exact Mass401.20
IUPAC Nametert-butyl N-[[5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate
SMILESCc1noc(C)c1-c1ccccc1OCC1CC(CNC(=O)OC(C)(C)C)=NO1
InChIInChI=1S/C21H27N3O5/c1-13-19(14(2)28-23-13)17-8-6-7-9-18(17)26-12-16-10-15(24-29-16)11-22-20(25)27-21(3,4)5/h6-9,16H,10-12H2,1-5H3,(H,22,25)
InChIKeyGFNXUXQBCQLHRM-UHFFFAOYSA-N
XLogP4.01
TPSA95.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

tert-butyl N-[[5-[[2-(4-carbamoylphenyl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate
CID 90292947
[5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine
CID 90285357
1-(5-methyl-1,3-thiazol-2-yl)-3-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]urea
CID 76901039
tert-butyl N-[[5-[(3-morpholin-4-ylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate
CID 90292478
1-(4-fluorophenyl)-3-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]urea
CID 76900484
N-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-4,6,7,7a-tetrahydro-2H-thieno[3,2-c]pyridine-5-carboxamide
CID 175753842
tert-butyl-[[(5R)-5-[[2-(4-fluorophenyl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamic acid
CID 90285568
tert-butyl N-[2-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]ethyl]carbamate
CID 176654089
4-[2-[[3-(aminomethyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]phenyl]benzamide
CID 90286292
tert-butyl N-[[5-(2-methylphenyl)furan-2-yl]methyl]carbamate
CID 145262667
tert-butyl N-[4-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]butyl]carbamate
CID 176654073
tert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate
CID 107248664

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate (CID 90292915) is tert-butyl N-[[5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate is Cc1noc(C)c1-c1ccccc1OCC1CC(CNC(=O)OC(C)(C)C)=NO1.
What is the InChIKey of tert-butyl N-[[5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate?
The InChIKey is GFNXUXQBCQLHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5/c1-13-19(14(2)28-23-13)17-8-6-7-9-18(17)26-12-16-10-15(24-29-16)11-22-20(25)27-21(3,4)5/h6-9,16H,10-12H2,1-5H3,(H,22,25).
What are the key properties of tert-butyl N-[[5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate?
tert-butyl N-[[5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate has a molecular weight of 401.46 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate is sourced from PubChem (CID 90292915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).