4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3-chloro-2-pyridinyl]-1,3-oxazole

C19H22ClN3O2 — CID 175894841

IUPAC4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3-chloro-2-pyridinyl]-1,3-oxazole
SMILESCC(C)(C)c1coc(-c2ccc(Cl)c(-c3nc(C(C)(C)C)co3)n2)n1
InChIInChI=1S/C19H22ClN3O2/c1-18(2,3)13-9-24-16(22-13)12-8-7-11(20)15(21-12)17-23-14(10-25-17)19(4,5)6/h7-10H,1-6H3
InChIKeySMQPSKWPWSIREW-UHFFFAOYSA-N
MW359.86 g/mol
LogP5.64
Rot. Bonds2

About 4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3-chloro-2-pyridinyl]-1,3-oxazole

4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3-chloro-2-pyridinyl]-1,3-oxazole (PubChem CID 175894841) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3-chloro-2-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3-chloro-2-pyridinyl]-1,3-oxazole
PubChem CID175894841
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3-chloro-2-pyridinyl]-1,3-oxazole
SMILESCC(C)(C)c1coc(-c2ccc(Cl)c(-c3nc(C(C)(C)C)co3)n2)n1
InChIInChI=1S/C19H22ClN3O2/c1-18(2,3)13-9-24-16(22-13)12-8-7-11(20)15(21-12)17-23-14(10-25-17)19(4,5)6/h7-10H,1-6H3
InChIKeySMQPSKWPWSIREW-UHFFFAOYSA-N
XLogP5.64
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.86
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3-chloro-2-pyridinyl]-1,3-oxazole?
The IUPAC name of 4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3-chloro-2-pyridinyl]-1,3-oxazole (CID 175894841) is 4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3-chloro-2-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3-chloro-2-pyridinyl]-1,3-oxazole?
The canonical SMILES for 4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3-chloro-2-pyridinyl]-1,3-oxazole is CC(C)(C)c1coc(-c2ccc(Cl)c(-c3nc(C(C)(C)C)co3)n2)n1.
What is the InChIKey of 4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3-chloro-2-pyridinyl]-1,3-oxazole?
The InChIKey is SMQPSKWPWSIREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-18(2,3)13-9-24-16(22-13)12-8-7-11(20)15(21-12)17-23-14(10-25-17)19(4,5)6/h7-10H,1-6H3.
What are the key properties of 4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3-chloro-2-pyridinyl]-1,3-oxazole?
4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3-chloro-2-pyridinyl]-1,3-oxazole has a molecular weight of 359.86 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3-chloro-2-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 175894841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).