tert-butyl N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamate

C19H19N3O4 — CID 137028383

IUPACtert-butyl N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C19H19N3O4/c1-19(2,3)25-18(24)20-14-8-4-12(5-9-14)16-21-17(26-22-16)13-6-10-15(23)11-7-13/h4-11,23H,1-3H3,(H,20,24)
InChIKeyNVGKTBWKALOVPL-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.46
Rot. Bonds3

About tert-butyl N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamate

tert-butyl N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamate (PubChem CID 137028383) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is tert-butyl N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamate
PubChem CID137028383
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Nametert-butyl N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C19H19N3O4/c1-19(2,3)25-18(24)20-14-8-4-12(5-9-14)16-21-17(26-22-16)13-6-10-15(23)11-7-13/h4-11,23H,1-3H3,(H,20,24)
InChIKeyNVGKTBWKALOVPL-UHFFFAOYSA-N
XLogP4.46
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
2,2-dimethyl-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 50747877
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8647155
tert-butyl N-[4-[2-[(4-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl]carbamate
CID 55736690
tert-butyl N-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
CID 67026126
tert-butyl N-[6-[5-(5-bromo-2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate
CID 135429409
tert-butyl N-[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]carbamate
CID 84818701
3-[3-methyl-5-[5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-[[5-(4-methylphenyl)furan-2-carbonyl]amino]propanoic acid
CID 90206210
[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]carbamic acid
CID 21483705
tert-butyl N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate
CID 166446222
tert-butyl N-(7-hydroxynaphthalen-2-yl)carbamate
CID 59683245

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamate (CID 137028383) is tert-butyl N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1.
What is the InChIKey of tert-butyl N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamate?
The InChIKey is NVGKTBWKALOVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-19(2,3)25-18(24)20-14-8-4-12(5-9-14)16-21-17(26-22-16)13-6-10-15(23)11-7-13/h4-11,23H,1-3H3,(H,20,24).
What are the key properties of tert-butyl N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamate?
tert-butyl N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamate has a molecular weight of 353.38 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamate is sourced from PubChem (CID 137028383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).