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

C23H27N3O5 — CID 90292947

IUPACtert-butyl N-[[5-[[2-(4-carbamoylphenyl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1=NOC(COc2ccccc2-c2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C23H27N3O5/c1-23(2,3)30-22(28)25-13-17-12-18(31-26-17)14-29-20-7-5-4-6-19(20)15-8-10-16(11-9-15)21(24)27/h4-11,18H,12-14H2,1-3H3,(H2,24,27)(H,25,28)
InChIKeyURHWZFWZYQMAAC-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.50
Rot. Bonds7

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

tert-butyl N-[[5-[[2-(4-carbamoylphenyl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate (PubChem CID 90292947) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is tert-butyl N-[[5-[[2-(4-carbamoylphenyl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-[[2-(4-carbamoylphenyl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate
PubChem CID90292947
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Nametert-butyl N-[[5-[[2-(4-carbamoylphenyl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1=NOC(COc2ccccc2-c2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C23H27N3O5/c1-23(2,3)30-22(28)25-13-17-12-18(31-26-17)14-29-20-7-5-4-6-19(20)15-8-10-16(11-9-15)21(24)27/h4-11,18H,12-14H2,1-3H3,(H2,24,27)(H,25,28)
InChIKeyURHWZFWZYQMAAC-UHFFFAOYSA-N
XLogP3.50
TPSA112.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[2-[[3-(aminomethyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]phenyl]benzamide
CID 90286292
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
1-(4-fluorophenyl)-3-[[5-[(2-phenylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]urea
CID 76900484
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-[[5-[(3-morpholin-4-ylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate
CID 90292478
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 N-[[4-(2-cyanophenyl)phenyl]methyl]carbamate
CID 11529658
4-(2-nonoxyphenyl)benzamide
CID 67822371
tert-butyl N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]carbamate
CID 124709444
tert-butyl N-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]carbamate
CID 163257034
tert-butyl N-[[2-[2-(4-fluorophenyl)phenyl]cyclopropyl]methyl]carbamate
CID 68925073
tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
CID 174676513

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-[[2-(4-carbamoylphenyl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-[[2-(4-carbamoylphenyl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate (CID 90292947) is tert-butyl N-[[5-[[2-(4-carbamoylphenyl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-[[2-(4-carbamoylphenyl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-[[2-(4-carbamoylphenyl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1=NOC(COc2ccccc2-c2ccc(C(N)=O)cc2)C1.
What is the InChIKey of tert-butyl N-[[5-[[2-(4-carbamoylphenyl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate?
The InChIKey is URHWZFWZYQMAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-23(2,3)30-22(28)25-13-17-12-18(31-26-17)14-29-20-7-5-4-6-19(20)15-8-10-16(11-9-15)21(24)27/h4-11,18H,12-14H2,1-3H3,(H2,24,27)(H,25,28).
What are the key properties of tert-butyl N-[[5-[[2-(4-carbamoylphenyl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate?
tert-butyl N-[[5-[[2-(4-carbamoylphenyl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate has a molecular weight of 425.49 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-[[2-(4-carbamoylphenyl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate is sourced from PubChem (CID 90292947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).