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

C18H22N4O3 — CID 67516007

IUPACtert-butyl N-[1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-c3nc(C4CC4)no3)cn2)CC1
InChIInChI=1S/C18H22N4O3/c1-17(2,3)24-16(23)21-18(8-9-18)13-7-6-12(10-19-13)15-20-14(22-25-15)11-4-5-11/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,21,23)
InChIKeyOIGONKNEWIJIKE-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.52
Rot. Bonds4

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

tert-butyl N-[1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]cyclopropyl]carbamate (PubChem CID 67516007) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is tert-butyl N-[1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]cyclopropyl]carbamate
PubChem CID67516007
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Nametert-butyl N-[1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-c3nc(C4CC4)no3)cn2)CC1
InChIInChI=1S/C18H22N4O3/c1-17(2,3)24-16(23)21-18(8-9-18)13-7-6-12(10-19-13)15-20-14(22-25-15)11-4-5-11/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,21,23)
InChIKeyOIGONKNEWIJIKE-UHFFFAOYSA-N
XLogP3.52
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]cyclopropyl]carbamate (CID 67516007) is tert-butyl N-[1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(-c3nc(C4CC4)no3)cn2)CC1.
What is the InChIKey of tert-butyl N-[1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]cyclopropyl]carbamate?
The InChIKey is OIGONKNEWIJIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-17(2,3)24-16(23)21-18(8-9-18)13-7-6-12(10-19-13)15-20-14(22-25-15)11-4-5-11/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,21,23).
What are the key properties of tert-butyl N-[1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]cyclopropyl]carbamate?
tert-butyl N-[1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]cyclopropyl]carbamate has a molecular weight of 342.40 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]cyclopropyl]carbamate is sourced from PubChem (CID 67516007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).