4-tert-butyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-oxazole

C16H21N3O — CID 139020278

IUPAC4-tert-butyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-oxazole
SMILESCC(C)(C)c1coc(-c2ccc(N3CCCC3)nc2)n1
InChIInChI=1S/C16H21N3O/c1-16(2,3)13-11-20-15(18-13)12-6-7-14(17-10-12)19-8-4-5-9-19/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyGDHHFJWVDZTLEJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.63
Rot. Bonds2

About 4-tert-butyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-oxazole

4-tert-butyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-oxazole (PubChem CID 139020278) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-tert-butyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-oxazole.

Molecular Properties

Compound Name4-tert-butyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-oxazole
PubChem CID139020278
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-tert-butyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-oxazole
SMILESCC(C)(C)c1coc(-c2ccc(N3CCCC3)nc2)n1
InChIInChI=1S/C16H21N3O/c1-16(2,3)13-11-20-15(18-13)12-6-7-14(17-10-12)19-8-4-5-9-19/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyGDHHFJWVDZTLEJ-UHFFFAOYSA-N
XLogP3.63
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-oxazole?
The IUPAC name of 4-tert-butyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-oxazole (CID 139020278) is 4-tert-butyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-oxazole.
What is the SMILES notation for 4-tert-butyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-oxazole?
The canonical SMILES for 4-tert-butyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-oxazole is CC(C)(C)c1coc(-c2ccc(N3CCCC3)nc2)n1.
What is the InChIKey of 4-tert-butyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-oxazole?
The InChIKey is GDHHFJWVDZTLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(2,3)13-11-20-15(18-13)12-6-7-14(17-10-12)19-8-4-5-9-19/h6-7,10-11H,4-5,8-9H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-oxazole?
4-tert-butyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-oxazole has a molecular weight of 271.36 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-oxazole is sourced from PubChem (CID 139020278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).