tert-butyl N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate

C13H19N5O3 — CID 97179370

IUPACtert-butyl N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1nc(-c2cnn(C)c2)no1
InChIInChI=1S/C13H19N5O3/c1-8(15-12(19)20-13(2,3)4)11-16-10(17-21-11)9-6-14-18(5)7-9/h6-8H,1-5H3,(H,15,19)/t8-/m0/s1
InChIKeyKDUIZCWSENZCSK-QMMMGPOBSA-N
MW293.33 g/mol
LogP2.06
Rot. Bonds3

About tert-butyl N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate

tert-butyl N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate (PubChem CID 97179370) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
PubChem CID97179370
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Nametert-butyl N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1nc(-c2cnn(C)c2)no1
InChIInChI=1S/C13H19N5O3/c1-8(15-12(19)20-13(2,3)4)11-16-10(17-21-11)9-6-14-18(5)7-9/h6-8H,1-5H3,(H,15,19)/t8-/m0/s1
InChIKeyKDUIZCWSENZCSK-QMMMGPOBSA-N
XLogP2.06
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate (CID 97179370) is tert-butyl N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate is C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2cnn(C)c2)no1.
What is the InChIKey of tert-butyl N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate?
The InChIKey is KDUIZCWSENZCSK-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-8(15-12(19)20-13(2,3)4)11-16-10(17-21-11)9-6-14-18(5)7-9/h6-8H,1-5H3,(H,15,19)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate?
tert-butyl N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate has a molecular weight of 293.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate is sourced from PubChem (CID 97179370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).