tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate

C19H20N4O5 — CID 135429404

IUPACtert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate
SMILESCOc1ccc(-c2nc(-c3ccc(NC(=O)OC(C)(C)C)cn3)no2)c(O)c1
InChIInChI=1S/C19H20N4O5/c1-19(2,3)27-18(25)21-11-5-8-14(20-10-11)16-22-17(28-23-16)13-7-6-12(26-4)9-15(13)24/h5-10,24H,1-4H3,(H,21,25)
InChIKeyPEKKJRYTZYWWOP-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.86
Rot. Bonds4

About tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate

tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate (PubChem CID 135429404) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate
PubChem CID135429404
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Nametert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate
SMILESCOc1ccc(-c2nc(-c3ccc(NC(=O)OC(C)(C)C)cn3)no2)c(O)c1
InChIInChI=1S/C19H20N4O5/c1-19(2,3)27-18(25)21-11-5-8-14(20-10-11)16-22-17(28-23-16)13-7-6-12(26-4)9-15(13)24/h5-10,24H,1-4H3,(H,21,25)
InChIKeyPEKKJRYTZYWWOP-UHFFFAOYSA-N
XLogP3.86
TPSA119.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate (CID 135429404) is tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate is COc1ccc(-c2nc(-c3ccc(NC(=O)OC(C)(C)C)cn3)no2)c(O)c1.
What is the InChIKey of tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate?
The InChIKey is PEKKJRYTZYWWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-19(2,3)27-18(25)21-11-5-8-14(20-10-11)16-22-17(28-23-16)13-7-6-12(26-4)9-15(13)24/h5-10,24H,1-4H3,(H,21,25).
What are the key properties of tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate?
tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate has a molecular weight of 384.39 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate is sourced from PubChem (CID 135429404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).